CID 53411822

2-(dicyclohexylphosphino)benzophenone

Structural Information

Molecular Formula
C25H31OP
SMILES
C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H31OP/c26-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
InChIKey
NFAAYQZZHNIMDJ-UHFFFAOYSA-N
Compound name
(2-dicyclohexylphosphanylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

378.21124 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21852 195.4
[M+Na]+ 401.20046 193.0
[M-H]- 377.20396 203.1
[M+NH4]+ 396.24506 205.2
[M+K]+ 417.17440 187.6
[M+H-H2O]+ 361.20850 181.8
[M+HCOO]- 423.20944 212.9
[M+CH3COO]- 437.22509 219.8
[M+Na-2H]- 399.18591 188.3
[M]+ 378.21069 184.5
[M]- 378.21179 184.5
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