CID 3088090

Brn 5587242

Structural Information

Molecular Formula
C9H13ClN2O5S
SMILES
CN(C(=O)OCCCl)S(=O)(=O)NCC1=CC=CO1
InChI
InChI=1S/C9H13ClN2O5S/c1-12(9(13)17-6-4-10)18(14,15)11-7-8-3-2-5-16-8/h2-3,5,11H,4,6-7H2,1H3
InChIKey
ZWDACWZKVUYCRN-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(furan-2-ylmethylsulfamoyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.02338 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03066 163.7
[M+Na]+ 319.01260 170.5
[M-H]- 295.01610 169.6
[M+NH4]+ 314.05720 180.5
[M+K]+ 334.98654 169.8
[M+H-H2O]+ 279.02064 158.2
[M+HCOO]- 341.02158 179.8
[M+CH3COO]- 355.03723 199.8
[M+Na-2H]- 316.99805 167.3
[M]+ 296.02283 172.2
[M]- 296.02393 172.2
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.