CID 14383063

1-(dichloromethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H12Cl2O
SMILES
C1CCC(CC1)(C(Cl)Cl)O
InChI
InChI=1S/C7H12Cl2O/c8-6(9)7(10)4-2-1-3-5-7/h6,10H,1-5H2
InChIKey
SJEITIGMMFRHGY-UHFFFAOYSA-N
Compound name
1-(dichloromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

182.02652 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.033796 134.9
[M+Na]+ 205.015738 141.4
[M-H]- 181.019244 135.9
[M+NH4]+ 200.060343 157.0
[M+K]+ 220.989678 137.3
[M+H-H2O]+ 165.023780 132.5
[M+HCOO]- 227.024721 144.0
[M+CH3COO]- 241.040371 175.0
[M+Na-2H]- 203.001186 139.4
[M]+ 182.02597142 131.8
[M]- 182.02706858 131.8
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