CID 223344

N-2-thiazolylarsanilic acid

Structural Information

Molecular Formula
C9H9AsN2O3S
SMILES
C1=CC(=CC=C1NC2=NC=CS2)[As](=O)(O)O
InChI
InChI=1S/C9H9AsN2O3S/c13-10(14,15)7-1-3-8(4-2-7)12-9-11-5-6-16-9/h1-6H,(H,11,12)(H2,13,14,15)
InChIKey
CCMFGZYFGWGNLP-UHFFFAOYSA-N
Compound name
[4-(1,3-thiazol-2-ylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96228 160.3
[M+Na]+ 322.94422 168.0
[M-H]- 298.94772 163.4
[M+NH4]+ 317.98882 176.5
[M+K]+ 338.91816 163.5
[M+H-H2O]+ 282.95226 153.4
[M+HCOO]- 344.95320 177.1
[M+CH3COO]- 358.96885 185.3
[M+Na-2H]- 320.92967 163.8
[M]+ 299.95445 160.6
[M]- 299.95555 160.6
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.