CID 392716

18240-45-4

Structural Information

Molecular Formula
C7H12ClNO4S
SMILES
CCOC(=O)NC1CS(=O)(=O)CC1Cl
InChI
InChI=1S/C7H12ClNO4S/c1-2-13-7(10)9-6-4-14(11,12)3-5(6)8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
ICAUNZGBLWGKFJ-UHFFFAOYSA-N
Compound name
ethyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.01756 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02484 146.2
[M+Na]+ 264.00678 155.0
[M-H]- 240.01028 150.3
[M+NH4]+ 259.05138 168.7
[M+K]+ 279.98072 152.2
[M+H-H2O]+ 224.01482 143.3
[M+HCOO]- 286.01576 160.7
[M+CH3COO]- 300.03141 185.7
[M+Na-2H]- 261.99223 147.6
[M]+ 241.01701 150.5
[M]- 241.01811 150.5
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

patents stripe