CID 16425

1,1-dichlorocyclohexane

Structural Information

Molecular Formula
C6H10Cl2
SMILES
C1CCC(CC1)(Cl)Cl
InChI
InChI=1S/C6H10Cl2/c7-6(8)4-2-1-3-5-6/h1-5H2
InChIKey
LQRDJCBZCLUBRY-UHFFFAOYSA-N
Compound name
1,1-dichlorocyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1167
Patents

152.01596 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02324 127.5
[M+Na]+ 175.00518 135.0
[M-H]- 151.00868 129.9
[M+NH4]+ 170.04978 151.4
[M+K]+ 190.97912 131.1
[M+H-H2O]+ 135.01322 124.8
[M+HCOO]- 197.01416 139.0
[M+CH3COO]- 211.02981 172.0
[M+Na-2H]- 172.99063 134.0
[M]+ 152.01541 124.9
[M]- 152.01651 124.9
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