CID 10612076

393-04-4

Structural Information

Molecular Formula
C7H5F3N2O4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H5F3N2O4S/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)17(11,15)16/h1-3H,(H2,11,15,16)
InChIKey
FXKIWRHGCSRWPT-UHFFFAOYSA-N
Compound name
4-nitro-2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

269.99222 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.999496 144.4
[M+Na]+ 292.981438 152.9
[M-H]- 268.984944 144.4
[M+NH4]+ 288.026043 159.7
[M+K]+ 308.955378 145.4
[M+H-H2O]+ 252.989480 140.8
[M+HCOO]- 314.990421 160.2
[M+CH3COO]- 329.006071 187.0
[M+Na-2H]- 290.966886 151.1
[M]+ 269.99167142 139.6
[M]- 269.99276858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe