CID 75525549

1,1,1-trifluoro-n-(2-nitrophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H5F3N2O4S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5F3N2O4S/c8-7(9,10)17(15,16)11-5-3-1-2-4-6(5)12(13)14/h1-4,11H
InChIKey
CAXSPTPOESKZMR-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-(2-nitrophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.99222 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.999496 144.5
[M+Na]+ 292.981438 152.2
[M-H]- 268.984944 144.7
[M+NH4]+ 288.026043 159.8
[M+K]+ 308.955378 145.0
[M+H-H2O]+ 252.989480 140.6
[M+HCOO]- 314.990421 161.0
[M+CH3COO]- 329.006071 186.5
[M+Na-2H]- 290.966886 152.8
[M]+ 269.99167142 140.4
[M]- 269.99276858 140.4
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

patents stripe