CID 122164551

5-chloro-4-(difluoromethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H5ClF2N2
SMILES
CN1C(=C(C=N1)C(F)F)Cl
InChI
InChI=1S/C5H5ClF2N2/c1-10-4(6)3(2-9-10)5(7)8/h2,5H,1H3
InChIKey
XJZJGMWNIVDMEJ-UHFFFAOYSA-N
Compound name
5-chloro-4-(difluoromethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.01093 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.01821 125.5
[M+Na]+ 189.00015 136.8
[M-H]- 165.00365 124.3
[M+NH4]+ 184.04475 146.4
[M+K]+ 204.97409 133.7
[M+H-H2O]+ 149.00819 117.9
[M+HCOO]- 211.00913 141.6
[M+CH3COO]- 225.02478 177.3
[M+Na-2H]- 186.98560 129.2
[M]+ 166.01038 125.2
[M]- 166.01148 125.2
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

No patent data available for this compound.