CID 47209

64059-07-0

Structural Information

Molecular Formula
C11H14N2O6S
SMILES
CCN(C(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O6S/c1-3-12(11(14)19-4-2)20(17,18)10-7-5-9(6-8-10)13(15)16/h5-8H,3-4H2,1-2H3
InChIKey
YJONQNIHVSIQFS-UHFFFAOYSA-N
Compound name
ethyl N-ethyl-N-(4-nitrophenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06453 162.9
[M+Na]+ 325.04647 168.1
[M-H]- 301.04997 167.8
[M+NH4]+ 320.09107 177.3
[M+K]+ 341.02041 163.2
[M+H-H2O]+ 285.05451 160.2
[M+HCOO]- 347.05545 182.6
[M+CH3COO]- 361.07110 196.8
[M+Na-2H]- 323.03192 168.2
[M]+ 302.05670 166.6
[M]- 302.05780 166.6
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

No patent data available for this compound.