CID 4583533

565209-22-5

Structural Information

Molecular Formula
C14H13F3N2O2S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C14H13F3N2O2S/c1-9-5-6-12(8-13(9)18)22(20,21)19-11-4-2-3-10(7-11)14(15,16)17/h2-8,19H,18H2,1H3
InChIKey
OAXYHSGWCABISI-UHFFFAOYSA-N
Compound name
3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.06497 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07225 169.2
[M+Na]+ 353.05419 178.0
[M-H]- 329.05769 171.9
[M+NH4]+ 348.09879 182.8
[M+K]+ 369.02813 172.1
[M+H-H2O]+ 313.06223 159.3
[M+HCOO]- 375.06317 184.0
[M+CH3COO]- 389.07882 209.5
[M+Na-2H]- 351.03964 172.2
[M]+ 330.06442 166.0
[M]- 330.06552 166.0
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

No patent data available for this compound.