PubChemLite - 135139-00-3 (C52H48P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

InChI

InChI=1S/C52H48P2/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/h9-32H,1-8H3

InChIKey

MXGXXBYVDMVJAO-UHFFFAOYSA-N

Compound name

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-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]+	735.33038	295.9
[M+Na]+	757.31232	319.7
[M+NH4]+	752.35692	304.7
[M+K]+	773.28626	302.5
[M-H]-	733.31582	312.6
[M+Na-2H]-	755.29777	308.6
[M]+	734.32255	305.1
[M]-	734.32365	305.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

735.33038

295.9

[M+Na]+

757.31232

319.7

[M+NH4]+

752.35692

304.7

[M+K]+

773.28626

302.5

[M-H]-

733.31582

312.6

[M+Na-2H]-

755.29777

308.6

[M]+

734.32255

305.1

[M]-

734.32365

305.1

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

135139-00-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe