CID 77588

P-toluenearsonic acid

Structural Information

Molecular Formula
C7H9AsO3
SMILES
CC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C7H9AsO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3,(H2,9,10,11)
InChIKey
GODGOGGXLHQPBK-UHFFFAOYSA-N
Compound name
(4-methylphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

215.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98404 138.4
[M+Na]+ 238.96598 149.9
[M+NH4]+ 234.01058 145.6
[M+K]+ 254.93992 145.1
[M-H]- 214.96948 138.3
[M+Na-2H]- 236.95143 143.7
[M]+ 215.97621 139.8
[M]- 215.97731 139.8
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