CID 3066269

Bis(2,5-dichlorophenyl)phosphinic acid

Structural Information

Molecular Formula
C12H7Cl4O2P
SMILES
C1=CC(=C(C=C1Cl)P(=O)(C2=C(C=CC(=C2)Cl)Cl)O)Cl
InChI
InChI=1S/C12H7Cl4O2P/c13-7-1-3-9(15)11(5-7)19(17,18)12-6-8(14)2-4-10(12)16/h1-6H,(H,17,18)
InChIKey
HEDWIBWJVGAWNO-UHFFFAOYSA-N
Compound name
bis(2,5-dichlorophenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.89377 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.90105 165.6
[M+Na]+ 376.88299 177.1
[M-H]- 352.88649 168.0
[M+NH4]+ 371.92759 180.4
[M+K]+ 392.85693 170.0
[M+H-H2O]+ 336.89103 160.3
[M+HCOO]- 398.89197 172.3
[M+CH3COO]- 412.90762 207.4
[M+Na-2H]- 374.86844 165.5
[M]+ 353.89322 169.6
[M]- 353.89432 169.6
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

No patent data available for this compound.