CID 744706

N-ethyl-2-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O4S/c1-2-9-15(13,14)8-6-4-3-5-7(8)10(11)12/h3-6,9H,2H2,1H3
InChIKey
MQOIFAQSYCSLRF-UHFFFAOYSA-N
Compound name
N-ethyl-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

230.03613 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 144.0
[M+Na]+ 253.025348 150.9
[M-H]- 229.028854 148.0
[M+NH4]+ 248.069953 161.1
[M+K]+ 268.999288 144.2
[M+H-H2O]+ 213.033390 142.3
[M+HCOO]- 275.034331 164.7
[M+CH3COO]- 289.049981 181.7
[M+Na-2H]- 251.010796 151.7
[M]+ 230.03558142 144.3
[M]- 230.03667858 144.3
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