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 142.8
[M+Na]+ 263.00726 151.4
[M-H]- 239.01076 142.4
[M+NH4]+ 258.05186 159.8
[M+K]+ 278.98120 147.5
[M+H-H2O]+ 223.01530 134.4
[M+HCOO]- 285.01624 158.4
[M+CH3COO]- 299.03189 190.2
[M+Na-2H]- 260.99271 147.7
[M]+ 240.01749 138.6
[M]- 240.01859 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.