CID 3088094

Brn 5584833

Structural Information

Molecular Formula
C8H11ClN2O5S
SMILES
C1=COC(=C1)CNS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C8H11ClN2O5S/c9-3-5-16-8(12)11-17(13,14)10-6-7-2-1-4-15-7/h1-2,4,10H,3,5-6H2,(H,11,12)
InChIKey
MVFYDPQAPCQNGB-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(furan-2-ylmethylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.00772 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01500 158.6
[M+Na]+ 304.99694 165.7
[M-H]- 281.00044 163.2
[M+NH4]+ 300.04154 175.4
[M+K]+ 320.97088 163.8
[M+H-H2O]+ 265.00498 153.4
[M+HCOO]- 327.00592 174.6
[M+CH3COO]- 341.02157 193.6
[M+Na-2H]- 302.98239 163.3
[M]+ 282.00717 165.5
[M]- 282.00827 165.5
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.