CID 44607726

5-chloro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=C(NN=C1C(=O)O)Cl
InChI
InChI=1S/C4H3ClN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChIKey
MOTPCOWWOZSEHC-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

145.98831 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.99559 123.8
[M+Na]+ 168.97753 133.9
[M-H]- 144.98103 122.5
[M+NH4]+ 164.02213 143.7
[M+K]+ 184.95147 130.4
[M+H-H2O]+ 128.98557 118.4
[M+HCOO]- 190.98651 140.0
[M+CH3COO]- 205.00216 165.5
[M+Na-2H]- 166.96298 128.7
[M]+ 145.98776 123.3
[M]- 145.98886 123.3
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

patents stripe