CID 122456154

[6-(trifluoromethyl)pyridin-3-yl]methanesulfonamide

Structural Information

Molecular Formula
C7H7F3N2O2S
SMILES
C1=CC(=NC=C1CS(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O2S/c8-7(9,10)6-2-1-5(3-12-6)4-15(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKey
NFBVJUSFTBKKCR-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)pyridin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.01804 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02532 144.1
[M+Na]+ 263.00726 153.7
[M-H]- 239.01076 142.5
[M+NH4]+ 258.05186 160.3
[M+K]+ 278.98120 149.8
[M+H-H2O]+ 223.01530 135.4
[M+HCOO]- 285.01624 157.5
[M+CH3COO]- 299.03189 187.8
[M+Na-2H]- 260.99271 148.5
[M]+ 240.01749 141.2
[M]- 240.01859 141.2
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