CID 43381233

1154565-97-5

Structural Information

Molecular Formula
C10H6ClN3O5
SMILES
C1=CC(=C(C=C1Cl)N2C=C(C(=N2)C(=O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H6ClN3O5/c11-5-1-2-6(14(18)19)7(3-5)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17)
InChIKey
GACIUHLMHIZKTO-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9996 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00688 154.8
[M+Na]+ 305.98882 163.8
[M-H]- 281.99232 157.5
[M+NH4]+ 301.03342 168.2
[M+K]+ 321.96276 155.6
[M+H-H2O]+ 265.99686 152.7
[M+HCOO]- 327.99780 171.8
[M+CH3COO]- 342.01345 186.0
[M+Na-2H]- 303.97427 159.3
[M]+ 282.99905 155.4
[M]- 283.00015 155.4
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.