CID 50998099

2-methyl-3-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
CC1=C(C=CC=C1S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C8H8F3NO2S/c1-5-6(8(9,10)11)3-2-4-7(5)15(12,13)14/h2-4H,1H3,(H2,12,13,14)
InChIKey
YLPZPOWHZGYMJC-UHFFFAOYSA-N
Compound name
2-methyl-3-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.02278 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.030056 143.4
[M+Na]+ 262.011998 153.4
[M-H]- 238.015504 143.5
[M+NH4]+ 257.056603 161.3
[M+K]+ 277.985938 149.6
[M+H-H2O]+ 222.020040 135.6
[M+HCOO]- 284.020981 157.8
[M+CH3COO]- 298.036631 189.4
[M+Na-2H]- 259.997446 146.7
[M]+ 239.02223142 140.8
[M]- 239.02332858 140.8
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