CID 21544

5425-20-7

Structural Information

Molecular Formula
C9H10AsNO5
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)[As](O)O
InChI
InChI=1S/C9H10AsNO5/c12-8(13)5-11-9(14)6-1-3-7(4-2-6)10(15)16/h1-4,15-16H,5H2,(H,11,14)(H,12,13)
InChIKey
BNKTYOFKGZZYHM-UHFFFAOYSA-N
Compound name
2-[(4-dihydroxyarsanylbenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.97748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98476 158.1
[M+Na]+ 309.96670 162.8
[M-H]- 285.97020 157.2
[M+NH4]+ 305.01130 172.8
[M+K]+ 325.94064 160.9
[M+H-H2O]+ 269.97474 151.5
[M+HCOO]- 331.97568 176.6
[M+CH3COO]- 345.99133 186.1
[M+Na-2H]- 307.95215 159.0
[M]+ 286.97693 156.1
[M]- 286.97803 156.1
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.