CID 3042265

Benzene, dichlorocyclohexyl-

Structural Information

Molecular Formula
C12H14Cl2
SMILES
C1CCC(CC1)C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C12H14Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKey
HNBHQJKIADDNFP-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-cyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

228.04726 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05454 148.2
[M+Na]+ 251.03648 155.7
[M-H]- 227.03998 153.4
[M+NH4]+ 246.08108 167.5
[M+K]+ 267.01042 149.7
[M+H-H2O]+ 211.04452 143.0
[M+HCOO]- 273.04546 159.2
[M+CH3COO]- 287.06111 160.2
[M+Na-2H]- 249.02193 151.6
[M]+ 228.04671 146.3
[M]- 228.04781 146.3
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