CID 7373

4-hydroxyphenylarsonic acid

Structural Information

Molecular Formula
C6H7AsO4
SMILES
C1=CC(=CC=C1O)[As](=O)(O)O
InChI
InChI=1S/C6H7AsO4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8H,(H2,9,10,11)
InChIKey
RSRFURJMCNJVOW-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

128
Patents

217.95602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96330 139.1
[M+Na]+ 240.94524 147.1
[M-H]- 216.94874 138.9
[M+NH4]+ 235.98984 157.5
[M+K]+ 256.91918 144.6
[M+H-H2O]+ 200.95328 134.2
[M+HCOO]- 262.95422 158.6
[M+CH3COO]- 276.96987 168.6
[M+Na-2H]- 238.93069 145.8
[M]+ 217.95547 137.6
[M]- 217.95657 137.6
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