CID 89618

22184-93-6

Structural Information

Molecular Formula
C8H10N2O5S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O5S/c11-5-4-9-16(14,15)8-3-1-2-7(6-8)10(12)13/h1-3,6,9,11H,4-5H2
InChIKey
JVJNXCUFDJYKJN-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

246.03104 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.038316 146.6
[M+Na]+ 269.020258 152.6
[M-H]- 245.023764 149.0
[M+NH4]+ 264.064863 162.0
[M+K]+ 284.994198 145.5
[M+H-H2O]+ 229.028300 144.8
[M+HCOO]- 291.029241 166.0
[M+CH3COO]- 305.044891 181.2
[M+Na-2H]- 267.005706 154.3
[M]+ 246.03049142 146.3
[M]- 246.03158858 146.3
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