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]+ 241.025316 142.8
[M+Na]+ 263.007258 151.4
[M-H]- 239.010764 142.4
[M+NH4]+ 258.051863 159.8
[M+K]+ 278.981198 147.5
[M+H-H2O]+ 223.015300 134.4
[M+HCOO]- 285.016241 158.4
[M+CH3COO]- 299.031891 190.2
[M+Na-2H]- 260.992706 147.7
[M]+ 240.01749142 138.6
[M]- 240.01858858 138.6
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.