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

236
Patents

594.3627 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.36998 256.2
[M+Na]+ 617.35192 258.1
[M-H]- 593.35542 266.2
[M+NH4]+ 612.39652 259.4
[M+K]+ 633.32586 253.7
[M+H-H2O]+ 577.35996 241.9
[M+HCOO]- 639.36090 271.2
[M+CH3COO]- 653.37655 266.3
[M+Na-2H]- 615.33737 251.7
[M]+ 594.36215 260.3
[M]- 594.36325 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