CID 47209

Carbamic acid, n-ethyl-n-(p-nitrophenyl)sulfonyl-, ethyl ester

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]+ 303.064526 162.9
[M+Na]+ 325.046468 168.1
[M-H]- 301.049974 167.8
[M+NH4]+ 320.091073 177.3
[M+K]+ 341.020408 163.2
[M+H-H2O]+ 285.054510 160.2
[M+HCOO]- 347.055451 182.6
[M+CH3COO]- 361.071101 196.8
[M+Na-2H]- 323.031916 168.2
[M]+ 302.05670142 166.6
[M]- 302.05779858 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.