CID 3454399

Ethyl 2-(2-nitrobenzenesulfonamido)acetate

Structural Information

Molecular Formula
C10H12N2O6S
SMILES
CCOC(=O)CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O6S/c1-2-18-10(13)7-11-19(16,17)9-6-4-3-5-8(9)12(14)15/h3-6,11H,2,7H2,1H3
InChIKey
GQRIPUXKGZZFRC-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-nitrophenyl)sulfonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

288.0416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04888 156.9
[M+Na]+ 311.03082 165.9
[M+NH4]+ 306.07542 161.9
[M+K]+ 327.00476 163.8
[M-H]- 287.03432 157.3
[M+Na-2H]- 309.01627 160.6
[M]+ 288.04105 158.2
[M]- 288.04215 158.2
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