CID 13202

1,2-dichlorocyclohexane

Structural Information

Molecular Formula
C6H10Cl2
SMILES
C1CCC(C(C1)Cl)Cl
InChI
InChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2
InChIKey
GZEZIBFVJYNETN-UHFFFAOYSA-N
Compound name
1,2-dichlorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

417
Patents

152.01596 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02324 128.2
[M+Na]+ 175.00518 135.8
[M-H]- 151.00868 130.5
[M+NH4]+ 170.04978 150.5
[M+K]+ 190.97912 131.8
[M+H-H2O]+ 135.01322 125.0
[M+HCOO]- 197.01416 139.7
[M+CH3COO]- 211.02981 173.5
[M+Na-2H]- 172.99063 133.0
[M]+ 152.01541 125.8
[M]- 152.01651 125.8
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