CID 43605598

N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide

Structural Information

Molecular Formula
C7H7F3N2O2S
SMILES
C1=CC=C(C(=C1)N)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h1-4,12H,11H2
InChIKey
DPYOORODQNBACJ-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01804 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02532 148.0
[M+Na]+ 263.00726 154.2
[M+NH4]+ 258.05186 152.4
[M+K]+ 278.98120 149.6
[M-H]- 239.01076 144.3
[M+Na-2H]- 260.99271 151.0
[M]+ 240.01749 147.8
[M]- 240.01859 147.8
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.