CID 459219

2-hydroxy-5-nitrobenzenearsonic acid

Structural Information

Molecular Formula
C6H6AsNO6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[As](=O)(O)O)O
InChI
InChI=1S/C6H6AsNO6/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,9H,(H2,10,11,12)
InChIKey
XVYPBLNQIQBYDZ-UHFFFAOYSA-N
Compound name
(2-hydroxy-5-nitrophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9411 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.94838 145.1
[M+Na]+ 285.93032 152.4
[M-H]- 261.93382 145.2
[M+NH4]+ 280.97492 160.8
[M+K]+ 301.90426 146.2
[M+H-H2O]+ 245.93836 144.4
[M+HCOO]- 307.93930 165.8
[M+CH3COO]- 321.95495 170.6
[M+Na-2H]- 283.91577 153.1
[M]+ 262.94055 142.7
[M]- 262.94165 142.7
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.