CID 3088071

Brn 5598310

Structural Information

Molecular Formula
C10H10ClN3O4S
SMILES
C1=CC=C(C(=C1)C#N)NS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C10H10ClN3O4S/c11-5-6-18-10(15)14-19(16,17)13-9-4-2-1-3-8(9)7-12/h1-4,13H,5-6H2,(H,14,15)
InChIKey
UJAJOBPSFMCWIQ-UHFFFAOYSA-N
Compound name
2-chloroethyl N-[(2-cyanophenyl)sulfamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.00806 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01534 171.9
[M+Na]+ 325.99728 181.0
[M-H]- 302.00078 175.6
[M+NH4]+ 321.04188 185.9
[M+K]+ 341.97122 177.4
[M+H-H2O]+ 286.00532 159.8
[M+HCOO]- 348.00626 183.9
[M+CH3COO]- 362.02191 210.2
[M+Na-2H]- 323.98273 175.0
[M]+ 303.00751 171.5
[M]- 303.00861 171.5
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.