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 155.9
[M+Na]+ 301.00204 162.8
[M-H]- 277.00554 159.6
[M+NH4]+ 296.04664 172.3
[M+K]+ 316.97598 158.9
[M+H-H2O]+ 261.01008 150.2
[M+HCOO]- 323.01102 171.5
[M+CH3COO]- 337.02667 194.3
[M+Na-2H]- 298.98749 161.3
[M]+ 278.01227 160.6
[M]- 278.01337 160.6
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

patents stripe