CID 21514

Benzoic acid, 2-amino-4-arsenoso-

Structural Information

Molecular Formula
C7H6AsNO3
SMILES
C1=CC(=C(C=C1[As]=O)N)C(=O)O
InChI
InChI=1S/C7H6AsNO3/c9-6-3-4(8-12)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
YDDPTRUYCJGOEY-UHFFFAOYSA-N
Compound name
2-amino-4-arsorosobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.95636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96364 142.1
[M+Na]+ 249.94558 150.3
[M-H]- 225.94908 144.2
[M+NH4]+ 244.99018 161.1
[M+K]+ 265.91952 147.9
[M+H-H2O]+ 209.95362 136.1
[M+HCOO]- 271.95456 165.3
[M+CH3COO]- 285.97021 179.7
[M+Na-2H]- 247.93103 145.8
[M]+ 226.95581 141.1
[M]- 226.95691 141.1
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.