CID 8468109

N-methyl-4-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H8F3NO2S/c1-12-15(13,14)7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKey
NRKCZBWVAQJOOG-UHFFFAOYSA-N
Compound name
N-methyl-4-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

76
Patents

239.02278 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03006 143.5
[M+Na]+ 262.01200 152.7
[M-H]- 238.01550 143.7
[M+NH4]+ 257.05660 161.4
[M+K]+ 277.98594 149.1
[M+H-H2O]+ 222.02004 135.4
[M+HCOO]- 284.02098 158.5
[M+CH3COO]- 298.03663 188.8
[M+Na-2H]- 259.99745 148.4
[M]+ 239.02223 141.5
[M]- 239.02333 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe