CID 11075212

2-(4-nitrophenyl)ethane-1-sulfonamide

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
C1=CC(=CC=C1CCS(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O4S/c9-15(13,14)6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2,(H2,9,13,14)
InChIKey
UFKZHNIFLPRVPB-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.03613 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 143.3
[M+Na]+ 253.02535 153.8
[M+NH4]+ 248.06995 150.0
[M+K]+ 268.99929 150.5
[M-H]- 229.02885 145.1
[M+Na-2H]- 251.01080 148.2
[M]+ 230.03558 145.4
[M]- 230.03668 145.4
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