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

12
Patents

269.99222 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99950 144.3
[M+Na]+ 292.98144 151.5
[M+NH4]+ 288.02604 148.1
[M+K]+ 308.95538 150.4
[M-H]- 268.98494 140.9
[M+Na-2H]- 290.96689 147.0
[M]+ 269.99167 144.2
[M]- 269.99277 144.2
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