CID 14572932

Phosphonous acid, [1,1'-biphenyl]-4-yl-, bis[2,4-bis(1,1-dimethylethyl)phenyl] ester

Structural Information

Molecular Formula
C40H51O2P
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC=CC=C3)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C40H51O2P/c1-37(2,3)30-20-24-35(33(26-30)39(7,8)9)41-43(32-22-18-29(19-23-32)28-16-14-13-15-17-28)42-36-25-21-31(38(4,5)6)27-34(36)40(10,11)12/h13-27H,1-12H3
InChIKey
PKNOHCARANUOTJ-UHFFFAOYSA-N
Compound name
bis(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

594.3627 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.369976 256.2
[M+Na]+ 617.351918 258.1
[M-H]- 593.355424 266.2
[M+NH4]+ 612.396523 259.4
[M+K]+ 633.325858 253.7
[M+H-H2O]+ 577.359960 241.9
[M+HCOO]- 639.360901 271.2
[M+CH3COO]- 653.376551 266.3
[M+Na-2H]- 615.337366 251.7
[M]+ 594.36215142 260.3
[M]- 594.36324858 260.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe