CID 83868968

1934363-63-9

Structural Information

Molecular Formula
C5H5ClN2O3
SMILES
COC1=NNC(=C1Cl)C(=O)O
InChI
InChI=1S/C5H5ClN2O3/c1-11-4-2(6)3(5(9)10)7-8-4/h1H3,(H,7,8)(H,9,10)
InChIKey
YPNZBNNLAIGEIO-UHFFFAOYSA-N
Compound name
4-chloro-3-methoxy-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.99887 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00615 130.3
[M+Na]+ 198.98809 140.8
[M-H]- 174.99159 129.4
[M+NH4]+ 194.03269 149.3
[M+K]+ 214.96203 137.7
[M+H-H2O]+ 158.99613 125.0
[M+HCOO]- 220.99707 146.5
[M+CH3COO]- 235.01272 171.8
[M+Na-2H]- 196.97354 134.2
[M]+ 175.99832 132.1
[M]- 175.99942 132.1
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.