CID 17885952

(2-chloroethoxy)cyclohexane

Structural Information

Molecular Formula
C8H15ClO
SMILES
C1CCC(CC1)OCCCl
InChI
InChI=1S/C8H15ClO/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
VYZWMCQGQWBCHS-UHFFFAOYSA-N
Compound name
2-chloroethoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

162.08115 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08843 134.6
[M+Na]+ 185.07037 140.1
[M-H]- 161.07387 137.0
[M+NH4]+ 180.11497 155.9
[M+K]+ 201.04431 137.6
[M+H-H2O]+ 145.07841 129.9
[M+HCOO]- 207.07935 150.8
[M+CH3COO]- 221.09500 175.4
[M+Na-2H]- 183.05582 139.8
[M]+ 162.08060 133.1
[M]- 162.08170 133.1
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