CID 140565044

1-(trifluoromethyl)-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C4H4F3N3O2S
SMILES
C1=C(C=NN1C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C4H4F3N3O2S/c5-4(6,7)10-2-3(1-9-10)13(8,11)12/h1-2H,(H2,8,11,12)
InChIKey
BKBIIMATRNMWCT-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)pyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

214.99763 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00491 136.6
[M+Na]+ 237.98685 147.5
[M-H]- 213.99035 134.4
[M+NH4]+ 233.03145 154.4
[M+K]+ 253.96079 144.8
[M+H-H2O]+ 197.99489 128.3
[M+HCOO]- 259.99583 150.5
[M+CH3COO]- 274.01148 181.6
[M+Na-2H]- 235.97230 140.2
[M]+ 214.99708 134.0
[M]- 214.99818 134.0
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