PubChemLite - 190003-81-7 (C52H56P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=C(C3=C(CCCC3)C=C2)C4=C(C=CC5=C4CCCC5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

InChI

InChI=1S/C52H56P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h17-32H,9-16H2,1-8H3

InChIKey

MSFLWCTZCJTICH-UHFFFAOYSA-N

Compound name

[1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

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]+	743.39302	295.5
[M+Na]+	765.37496	293.7
[M-H]-	741.37846	307.5
[M+NH4]+	760.41956	292.0
[M+K]+	781.34890	284.9
[M+H-H2O]+	725.38300	271.1
[M+HCOO]-	787.38394	308.2
[M+CH3COO]-	801.39959	293.9
[M+Na-2H]-	763.36041	272.9
[M]+	742.38519	287.6
[M]-	742.38629	287.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

743.39302

295.5

[M+Na]+

765.37496

293.7

[M-H]-

741.37846

307.5

[M+NH4]+

760.41956

292.0

[M+K]+

781.34890

284.9

[M+H-H2O]+

725.38300

271.1

[M+HCOO]-

787.38394

308.2

[M+CH3COO]-

801.39959

293.9

[M+Na-2H]-

763.36041

272.9

[M]+

742.38519

287.6

[M]-

742.38629

287.6

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

190003-81-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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