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

4
Patents

166.01093 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.018206 125.5
[M+Na]+ 189.000148 136.8
[M-H]- 165.003654 124.3
[M+NH4]+ 184.044753 146.4
[M+K]+ 204.974088 133.7
[M+H-H2O]+ 149.008190 117.9
[M+HCOO]- 211.009131 141.6
[M+CH3COO]- 225.024781 177.3
[M+Na-2H]- 186.985596 129.2
[M]+ 166.01038142 125.2
[M]- 166.01147858 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

patents stripe