CID 95163

Bis(m-bromophenyl)phosphinic acid

Structural Information

Molecular Formula
C12H9Br2O2P
SMILES
C1=CC(=CC(=C1)Br)P(=O)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C12H9Br2O2P/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,(H,15,16)
InChIKey
PJXADXFKSNWUNV-UHFFFAOYSA-N
Compound name
bis(3-bromophenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

373.8707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.87798 160.8
[M+Na]+ 396.85992 156.5
[M+NH4]+ 391.90452 162.5
[M+K]+ 412.83386 162.6
[M-H]- 372.86342 162.1
[M+Na-2H]- 394.84537 163.2
[M]+ 373.87015 159.5
[M]- 373.87125 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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