CID 10914267

Ethyl 2-[(5-chloro-2-nitro-phenyl)sulfonylamino]acetate

Structural Information

Molecular Formula
C10H11ClN2O6S
SMILES
CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O6S/c1-2-19-10(14)6-12-20(17,18)9-5-7(11)3-4-8(9)13(15)16/h3-5,12H,2,6H2,1H3
InChIKey
IMTQSDKDUDDKOQ-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-chloro-2-nitrophenyl)sulfonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.00262 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00990 163.9
[M+Na]+ 344.99184 170.3
[M-H]- 320.99534 167.7
[M+NH4]+ 340.03644 177.9
[M+K]+ 360.96578 162.8
[M+H-H2O]+ 304.99988 162.9
[M+HCOO]- 367.00082 178.9
[M+CH3COO]- 381.01647 196.0
[M+Na-2H]- 342.97729 169.3
[M]+ 322.00207 168.4
[M]- 322.00317 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.