CID 13203

2-chlorocyclohexanone

Structural Information

Molecular Formula
C6H9ClO
SMILES
C1CCC(=O)C(C1)Cl
InChI
InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKey
CCHNWURRBFGQCD-UHFFFAOYSA-N
Compound name
2-chlorocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1622
Patents

132.0342 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 123.4
[M+Na]+ 155.02342 130.9
[M-H]- 131.02692 126.6
[M+NH4]+ 150.06802 146.2
[M+K]+ 170.99736 128.5
[M+H-H2O]+ 115.03146 119.5
[M+HCOO]- 177.03240 140.4
[M+CH3COO]- 191.04805 169.5
[M+Na-2H]- 153.00887 129.1
[M]+ 132.03365 120.9
[M]- 132.03475 120.9
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