CID 4584620

2-nitro-4-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H5F3N2O4S
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C7H5F3N2O4S/c8-7(9,10)4-1-2-6(17(11,15)16)5(3-4)12(13)14/h1-3H,(H2,11,15,16)
InChIKey
GCJFIVMGFRULPF-UHFFFAOYSA-N
Compound name
2-nitro-4-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.99222 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe