CID 175790

98533-60-9

Structural Information

Molecular Formula
C11H9ClFN3O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C11H9ClFN3O/c1-14-11(17)9-6-15-16(10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,17)
InChIKey
OLJCAUTWIYYODX-UHFFFAOYSA-N
Compound name
5-chloro-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.04182 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04910 152.0
[M+Na]+ 276.03104 162.5
[M-H]- 252.03454 155.5
[M+NH4]+ 271.07564 169.0
[M+K]+ 292.00498 157.3
[M+H-H2O]+ 236.03908 143.4
[M+HCOO]- 298.04002 170.2
[M+CH3COO]- 312.05567 194.3
[M+Na-2H]- 274.01649 155.0
[M]+ 253.04127 153.2
[M]- 253.04237 153.2
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