CID 13483328

2-chlorocyclohexane-1,3-dione

Structural Information

Molecular Formula
C6H7ClO2
SMILES
C1CC(=O)C(C(=O)C1)Cl
InChI
InChI=1S/C6H7ClO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2
InChIKey
ZJDBNSUHNOIEBS-UHFFFAOYSA-N
Compound name
2-chlorocyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

146.01346 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02074 124.1
[M+Na]+ 169.00268 132.9
[M-H]- 145.00618 127.8
[M+NH4]+ 164.04728 146.5
[M+K]+ 184.97662 130.3
[M+H-H2O]+ 129.01072 120.5
[M+HCOO]- 191.01166 141.6
[M+CH3COO]- 205.02731 171.8
[M+Na-2H]- 166.98813 129.3
[M]+ 146.01291 122.8
[M]- 146.01401 122.8
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

No patent data available for this compound.