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

69
Patents

230.03613 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 144.0
[M+Na]+ 253.02535 150.9
[M-H]- 229.02885 148.0
[M+NH4]+ 248.06995 161.1
[M+K]+ 268.99929 144.2
[M+H-H2O]+ 213.03339 142.3
[M+HCOO]- 275.03433 164.7
[M+CH3COO]- 289.04998 181.7
[M+Na-2H]- 251.01080 151.7
[M]+ 230.03558 144.3
[M]- 230.03668 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