CID 3015335

(chloromethyl)cyclohexane

Structural Information

Molecular Formula
C7H13Cl
SMILES
C1CCC(CC1)CCl
InChI
InChI=1S/C7H13Cl/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
OMEGHMBBBTYRFT-UHFFFAOYSA-N
Compound name
chloromethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1237
Patents

132.07057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07785 127.0
[M+Na]+ 155.05979 132.8
[M-H]- 131.06329 129.6
[M+NH4]+ 150.10439 149.5
[M+K]+ 171.03373 130.2
[M+H-H2O]+ 115.06783 122.7
[M+HCOO]- 177.06877 143.2
[M+CH3COO]- 191.08442 170.5
[M+Na-2H]- 153.04524 132.8
[M]+ 132.07002 123.6
[M]- 132.07112 123.6
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