CID 6485421

1-(difluoromethyl)-3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClF2N2O2S
SMILES
CC1=C(C(=NN1C(F)F)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClF2N2O2S/c1-3-5(14(7,12)13)4(2)11(10-3)6(8)9/h6H,1-2H3
InChIKey
HLIWWBFDPRHELR-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

243.98848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.995756 141.9
[M+Na]+ 266.977698 154.5
[M-H]- 242.981204 141.9
[M+NH4]+ 262.022303 160.6
[M+K]+ 282.951638 150.6
[M+H-H2O]+ 226.985740 135.5
[M+HCOO]- 288.986681 151.8
[M+CH3COO]- 303.002331 187.8
[M+Na-2H]- 264.963146 142.0
[M]+ 243.98793142 145.6
[M]- 243.98902858 145.6
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