CID 212629

24606-93-7

Structural Information

Molecular Formula
C12H14ClNO3S
SMILES
CC1(OC(CS1)COC(=O)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClNO3S/c1-12(8-2-4-9(13)5-3-8)17-10(7-18-12)6-16-11(14)15/h2-5,10H,6-7H2,1H3,(H2,14,15)
InChIKey
ISGNUHLBFNANBV-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-methyl-1,3-oxathiolan-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0383 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04558 161.4
[M+Na]+ 310.02752 171.9
[M+NH4]+ 305.07212 170.9
[M+K]+ 326.00146 164.4
[M-H]- 286.03102 165.7
[M+Na-2H]- 308.01297 167.5
[M]+ 287.03775 164.9
[M]- 287.03885 164.9
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.