CID 224260

5410-41-3

Structural Information

Molecular Formula
C8H8AsNO6
SMILES
C1=CC(=CC=C1NC(=O)C(=O)O)[As](=O)(O)O
InChI
InChI=1S/C8H8AsNO6/c11-7(8(12)13)10-6-3-1-5(2-4-6)9(14,15)16/h1-4H,(H,10,11)(H,12,13)(H2,14,15,16)
InChIKey
QFTQNAVOOFPYLK-UHFFFAOYSA-N
Compound name
2-(4-arsonoanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.95676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.96404 154.6
[M+Na]+ 311.94598 160.5
[M-H]- 287.94948 154.1
[M+NH4]+ 306.99058 169.3
[M+K]+ 327.91992 158.8
[M+H-H2O]+ 271.95402 148.6
[M+HCOO]- 333.95496 173.2
[M+CH3COO]- 347.97061 183.4
[M+Na-2H]- 309.93143 158.4
[M]+ 288.95621 153.0
[M]- 288.95731 153.0
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.