CID 22678

2-cyclohexylethyl chloroacetate

Structural Information

Molecular Formula
C10H17ClO2
SMILES
C1CCC(CC1)CCOC(=O)CCl
InChI
InChI=1S/C10H17ClO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9H,1-8H2
InChIKey
DRXWZLAIMHQOGA-UHFFFAOYSA-N
Compound name
2-cyclohexylethyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0917 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09898 145.8
[M+Na]+ 227.08092 150.5
[M-H]- 203.08442 148.0
[M+NH4]+ 222.12552 165.3
[M+K]+ 243.05486 147.8
[M+H-H2O]+ 187.08896 140.7
[M+HCOO]- 249.08990 160.8
[M+CH3COO]- 263.10555 182.6
[M+Na-2H]- 225.06637 148.7
[M]+ 204.09115 145.2
[M]- 204.09225 145.2
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.