CID 380767

Nsc666476

Structural Information

Molecular Formula
C19H17O2P
SMILES
C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2C3=CC=CC=C3)O
InChI
InChI=1S/C19H17O2P/c20-22(21,15-16-9-3-1-4-10-16)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14H,15H2,(H,20,21)
InChIKey
MBXXAWQVAZOTJO-UHFFFAOYSA-N
Compound name
benzyl-(2-phenylphenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.09662 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10390 174.3
[M+Na]+ 331.08584 180.2
[M-H]- 307.08934 181.1
[M+NH4]+ 326.13044 187.9
[M+K]+ 347.05978 174.7
[M+H-H2O]+ 291.09388 163.2
[M+HCOO]- 353.09482 200.4
[M+CH3COO]- 367.11047 202.3
[M+Na-2H]- 329.07129 177.0
[M]+ 308.09607 173.1
[M]- 308.09717 173.1
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

No patent data available for this compound.