CID 94911

Benzylarsonic acid

Structural Information

Molecular Formula
C7H9AsO3
SMILES
C1=CC=C(C=C1)C[As](=O)(O)O
InChI
InChI=1S/C7H9AsO3/c9-8(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)
InChIKey
ODQMOSYKHALMPU-UHFFFAOYSA-N
Compound name
benzylarsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

215.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98404 138.8
[M+Na]+ 238.96598 150.0
[M+NH4]+ 234.01058 146.1
[M+K]+ 254.93992 145.0
[M-H]- 214.96948 138.7
[M+Na-2H]- 236.95143 144.4
[M]+ 215.97621 140.2
[M]- 215.97731 140.2
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