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)-3-pyridinyl]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]+ 241.025316 144.1
[M+Na]+ 263.007258 153.7
[M-H]- 239.010764 142.5
[M+NH4]+ 258.051863 160.3
[M+K]+ 278.981198 149.8
[M+H-H2O]+ 223.015300 135.4
[M+HCOO]- 285.016241 157.5
[M+CH3COO]- 299.031891 187.8
[M+Na-2H]- 260.992706 148.5
[M]+ 240.01749142 141.2
[M]- 240.01858858 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