CID 50896525

1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H4ClF3N2O2S
SMILES
CN1C(=CC(=N1)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClF3N2O2S/c1-11-4(14(6,12)13)2-3(10-11)5(7,8)9/h2H,1H3
InChIKey
MORWFSVOFMNQDO-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)pyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

247.96341 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97069 151.4
[M+Na]+ 270.95263 159.0
[M+NH4]+ 265.99723 155.5
[M+K]+ 286.92657 155.7
[M-H]- 246.95613 145.3
[M+Na-2H]- 268.93808 152.6
[M]+ 247.96286 151.0
[M]- 247.96396 151.0
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