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 161.8
[M+Na]+ 310.02752 169.9
[M-H]- 286.03102 169.1
[M+NH4]+ 305.07212 180.9
[M+K]+ 326.00146 166.8
[M+H-H2O]+ 270.03556 157.4
[M+HCOO]- 332.03650 174.6
[M+CH3COO]- 346.05215 195.7
[M+Na-2H]- 308.01297 162.7
[M]+ 287.03775 165.5
[M]- 287.03885 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.