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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.020096	155.9
[M+Na]+	301.002038	162.8
[M-H]-	277.005544	159.6
[M+NH4]+	296.046643	172.3
[M+K]+	316.975978	158.9
[M+H-H2O]+	261.010080	150.2
[M+HCOO]-	323.011021	171.5
[M+CH3COO]-	337.026671	194.3
[M+Na-2H]-	298.987486	161.3
[M]+	278.01227142	160.6
[M]-	278.01336858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe