CID 16773348

N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide

Structural Information

Molecular Formula
C8H9F3N2O2S
SMILES
CS(=O)(=O)NC1=CC(=C(C=C1)N)C(F)(F)F
InChI
InChI=1S/C8H9F3N2O2S/c1-16(14,15)13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4,13H,12H2,1H3
InChIKey
NYDIEGVULGMIBP-UHFFFAOYSA-N
Compound name
N-[4-amino-3-(trifluoromethyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03368 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04096 147.3
[M+Na]+ 277.02290 156.3
[M-H]- 253.02640 147.0
[M+NH4]+ 272.06750 164.0
[M+K]+ 292.99684 152.2
[M+H-H2O]+ 237.03094 138.9
[M+HCOO]- 299.03188 162.4
[M+CH3COO]- 313.04753 194.4
[M+Na-2H]- 275.00835 151.0
[M]+ 254.03313 143.8
[M]- 254.03423 143.8
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

No patent data available for this compound.