CID 126818891

5-(trifluoromethyl)pyridazine-3-sulfonamide

Structural Information

Molecular Formula
C5H4F3N3O2S
SMILES
C1=C(C=NN=C1S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C5H4F3N3O2S/c6-5(7,8)3-1-4(11-10-2-3)14(9,12)13/h1-2H,(H2,9,12,13)
InChIKey
ICRDLTWGXVVXBQ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyridazine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.99763 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00491 140.0
[M+Na]+ 249.98685 150.5
[M-H]- 225.99035 137.4
[M+NH4]+ 245.03145 155.4
[M+K]+ 265.96079 146.8
[M+H-H2O]+ 209.99489 131.0
[M+HCOO]- 271.99583 152.7
[M+CH3COO]- 286.01148 184.6
[M+Na-2H]- 247.97230 145.3
[M]+ 226.99708 136.8
[M]- 226.99818 136.8
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