PubChemLite - 13003-12-8 (C78H144O6P2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OC1=C(C=C(C(=C1)C)C(CCC)C2=CC(=C(C=C2C)OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C78H144O6P2/c1-14-19-23-27-31-35-39-43-47-51-55-60-79-85(80-61-56-52-48-44-40-36-32-28-24-20-15-2)83-75-64-68(6)71(66-73(75)77(8,9)10)70(59-18-5)72-67-74(78(11,12)13)76(65-69(72)7)84-86(81-62-57-53-49-45-41-37-33-29-25-21-16-3)82-63-58-54-50-46-42-38-34-30-26-22-17-4/h64-67,70H,14-63H2,1-13H3

InChIKey

BWCBWCHWFIPXMJ-UHFFFAOYSA-N

Compound name

[2-tert-butyl-4-[1-[5-tert-butyl-4-di(tridecoxy)phosphanyloxy-2-methylphenyl]butyl]-5-methylphenyl] ditridecyl phosphite

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1240.0511	365.2
[M+Na]+	1262.0330	363.8
[M-H]-	1238.0365	344.2
[M+NH4]+	1257.0776	375.3
[M+K]+	1278.0070	379.2
[M+H-H2O]+	1222.0411	349.0
[M+HCOO]-	1284.0420	366.4
[M+CH3COO]-	1298.0577	381.5
[M+Na-2H]-	1260.0185	333.7
[M]+	1239.0433	371.9
[M]-	1239.0443	371.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1240.0511

365.2

[M+Na]+

1262.0330

363.8

[M-H]-

1238.0365

344.2

[M+NH4]+

1257.0776

375.3

[M+K]+

1278.0070

379.2

[M+H-H2O]+

1222.0411

349.0

[M+HCOO]-

1284.0420

366.4

[M+CH3COO]-

1298.0577

381.5

[M+Na-2H]-

1260.0185

333.7

[M]+

1239.0433

371.9

[M]-

1239.0443

371.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

13003-12-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe