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

3
Patents

230.03613 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 144.3
[M+Na]+ 253.025348 151.2
[M-H]- 229.028854 147.7
[M+NH4]+ 248.069953 161.1
[M+K]+ 268.999288 144.1
[M+H-H2O]+ 213.033390 142.6
[M+HCOO]- 275.034331 164.4
[M+CH3COO]- 289.049981 181.0
[M+Na-2H]- 251.010796 151.0
[M]+ 230.03558142 143.6
[M]- 230.03667858 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