CID 46318315

4-chloro-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula
C4H4ClN3O
SMILES
C1=NNC(=C1Cl)C(=O)N
InChI
InChI=1S/C4H4ClN3O/c5-2-1-7-8-3(2)4(6)9/h1H,(H2,6,9)(H,7,8)
InChIKey
BSRADBHDGBSUDE-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

145.00429 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01157 125.4
[M+Na]+ 167.99351 135.1
[M-H]- 143.99701 125.0
[M+NH4]+ 163.03811 145.4
[M+K]+ 183.96745 131.6
[M+H-H2O]+ 128.00155 119.4
[M+HCOO]- 190.00249 143.3
[M+CH3COO]- 204.01814 170.2
[M+Na-2H]- 165.97896 130.1
[M]+ 145.00374 123.6
[M]- 145.00484 123.6
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