CID 2765590

2-chloroethyl ((phenylamino)sulfonyl)carbamate

Structural Information

Molecular Formula
C9H11ClN2O4S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C9H11ClN2O4S/c10-6-7-16-9(13)12-17(14,15)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKey
SIMQGYXFQKZZHQ-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(phenylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.01282 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02010 157.7
[M+Na]+ 301.00204 166.6
[M+NH4]+ 296.04664 163.8
[M+K]+ 316.97598 160.4
[M-H]- 277.00554 158.0
[M+Na-2H]- 298.98749 162.4
[M]+ 278.01227 159.4
[M]- 278.01337 159.4
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