CID 96314

(3-bromophenyl)phosphonic acid

Structural Information

Molecular Formula
C6H6BrO3P
SMILES
C1=CC(=CC(=C1)Br)P(=O)(O)O
InChI
InChI=1S/C6H6BrO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
FVXYXYBKMLOQGI-UHFFFAOYSA-N
Compound name
(3-bromophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

235.9238 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93108 149.4
[M+Na]+ 258.91302 161.1
[M-H]- 234.91652 152.5
[M+NH4]+ 253.95762 170.0
[M+K]+ 274.88696 149.9
[M+H-H2O]+ 218.92106 148.1
[M+HCOO]- 280.92200 173.1
[M+CH3COO]- 294.93765 181.4
[M+Na-2H]- 256.89847 154.5
[M]+ 235.92325 167.6
[M]- 235.92435 167.6
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

patents stripe