CID 217032

Jdl 90

Structural Information

Molecular Formula
C12H10F3N3O2S
SMILES
C1=CC(=CC(=C1)NC2=C(C=NC=C2)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-2-1-3-9(6-8)18-10-4-5-17-7-11(10)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKey
WXAZVOULHVTBDA-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05188 164.6
[M+Na]+ 340.03382 173.6
[M-H]- 316.03732 166.1
[M+NH4]+ 335.07842 177.2
[M+K]+ 356.00776 167.7
[M+H-H2O]+ 300.04186 154.2
[M+HCOO]- 362.04280 178.9
[M+CH3COO]- 376.05845 204.9
[M+Na-2H]- 338.01927 169.5
[M]+ 317.04405 160.9
[M]- 317.04515 160.9
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