CID 13343365

1-(chloromethyl)-4-cyclohexylbenzene

Structural Information

Molecular Formula
C13H17Cl
SMILES
C1CCC(CC1)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C13H17Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKey
DNEPVPBJDHQGRK-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-cyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

208.10188 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10916 146.5
[M+Na]+ 231.09110 152.2
[M-H]- 207.09460 152.0
[M+NH4]+ 226.13570 165.9
[M+K]+ 247.06504 147.3
[M+H-H2O]+ 191.09914 140.3
[M+HCOO]- 253.10008 162.3
[M+CH3COO]- 267.11573 185.1
[M+Na-2H]- 229.07655 150.8
[M]+ 208.10133 143.4
[M]- 208.10243 143.4
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