CID 11229529

1-chloroethyl cyclohexyl carbonate

Structural Information

Molecular Formula
C9H15ClO3
SMILES
CC(OC(=O)OC1CCCCC1)Cl
InChI
InChI=1S/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKey
ONZWFHWHTYZZLM-UHFFFAOYSA-N
Compound name
1-chloroethyl cyclohexyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

965
Patents

206.07097 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07825 143.7
[M+Na]+ 229.06019 148.7
[M-H]- 205.06369 146.3
[M+NH4]+ 224.10479 163.2
[M+K]+ 245.03413 147.3
[M+H-H2O]+ 189.06823 138.9
[M+HCOO]- 251.06917 158.4
[M+CH3COO]- 265.08482 181.8
[M+Na-2H]- 227.04564 146.1
[M]+ 206.07042 143.6
[M]- 206.07152 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe