CID 94911

Alpha-toluenearsonic 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

59
Patents

215.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98404 140.7
[M+Na]+ 238.96598 147.9
[M-H]- 214.96948 141.5
[M+NH4]+ 234.01058 159.8
[M+K]+ 254.93992 145.4
[M+H-H2O]+ 198.97402 135.4
[M+HCOO]- 260.97496 161.3
[M+CH3COO]- 274.99061 170.7
[M+Na-2H]- 236.95143 148.0
[M]+ 215.97621 139.7
[M]- 215.97731 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.