CID 202704

Bis(4-chlorophenyl)phosphinic acid

Structural Information

Molecular Formula
C12H9Cl2O2P
SMILES
C1=CC(=CC=C1P(=O)(C2=CC=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C12H9Cl2O2P/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
InChIKey
PQTLSVRQJMZPSJ-UHFFFAOYSA-N
Compound name
bis(4-chlorophenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

41
Patents

285.9717 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97898 156.7
[M+Na]+ 308.96092 167.1
[M-H]- 284.96442 161.2
[M+NH4]+ 304.00552 174.0
[M+K]+ 324.93486 160.5
[M+H-H2O]+ 268.96896 149.8
[M+HCOO]- 330.96990 174.7
[M+CH3COO]- 344.98555 194.6
[M+Na-2H]- 306.94637 159.8
[M]+ 285.97115 160.5
[M]- 285.97225 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe