CID 11309592

Chloromethyl cyclohexyl ether

Structural Information

Molecular Formula
C7H13ClO
SMILES
C1CCC(CC1)OCCl
InChI
InChI=1S/C7H13ClO/c8-6-9-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
GYCLGFVWNVHUPA-UHFFFAOYSA-N
Compound name
chloromethoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

148.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07277 128.4
[M+Na]+ 171.05471 140.4
[M+NH4]+ 166.09931 138.5
[M+K]+ 187.02865 133.0
[M-H]- 147.05821 130.9
[M+Na-2H]- 169.04016 134.7
[M]+ 148.06494 131.0
[M]- 148.06604 131.0
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