CID 459222

1-(4-arsonophenyl)-4-hydroxy-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H9AsN2O6
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)O)[As](=O)(O)O
InChI
InChI=1S/C10H9AsN2O6/c14-8-5-13(12-9(8)10(15)16)7-3-1-6(2-4-7)11(17,18)19/h1-5,14H,(H,15,16)(H2,17,18,19)
InChIKey
QJJPYQQLDIWIBV-UHFFFAOYSA-N
Compound name
1-(4-arsonophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.96765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.97493 165.2
[M+Na]+ 350.95687 173.1
[M-H]- 326.96037 164.9
[M+NH4]+ 346.00147 177.2
[M+K]+ 366.93081 169.8
[M+H-H2O]+ 310.96491 158.0
[M+HCOO]- 372.96585 180.9
[M+CH3COO]- 386.98150 187.1
[M+Na-2H]- 348.94232 167.4
[M]+ 327.96710 164.8
[M]- 327.96820 164.8
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.