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]+ 244.99576 141.9
[M+Na]+ 266.97770 154.5
[M-H]- 242.98120 141.9
[M+NH4]+ 262.02230 160.6
[M+K]+ 282.95164 150.6
[M+H-H2O]+ 226.98574 135.5
[M+HCOO]- 288.98668 151.8
[M+CH3COO]- 303.00233 187.8
[M+Na-2H]- 264.96315 142.0
[M]+ 243.98793 145.6
[M]- 243.98903 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