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

0
Patents

269.99222 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99950 144.5
[M+Na]+ 292.98144 152.2
[M-H]- 268.98494 144.7
[M+NH4]+ 288.02604 159.8
[M+K]+ 308.95538 145.0
[M+H-H2O]+ 252.98948 140.6
[M+HCOO]- 314.99042 161.0
[M+CH3COO]- 329.00607 186.5
[M+Na-2H]- 290.96689 152.8
[M]+ 269.99167 140.4
[M]- 269.99277 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