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 144.3
[M+Na]+ 253.02535 151.2
[M-H]- 229.02885 147.7
[M+NH4]+ 248.06995 161.1
[M+K]+ 268.99929 144.1
[M+H-H2O]+ 213.03339 142.6
[M+HCOO]- 275.03433 164.4
[M+CH3COO]- 289.04998 181.0
[M+Na-2H]- 251.01080 151.0
[M]+ 230.03558 143.6
[M]- 230.03668 143.6
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