CID 12501620

1,2-cyclohexanedicarbonyl dichloride

Structural Information

Molecular Formula
C8H10Cl2O2
SMILES
C1CCC(C(C1)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C8H10Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2
InChIKey
YKZFIPRBWVEQBE-UHFFFAOYSA-N
Compound name
cyclohexane-1,2-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

208.00578 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.013056 139.3
[M+Na]+ 230.994998 146.3
[M-H]- 206.998504 141.8
[M+NH4]+ 226.039603 159.2
[M+K]+ 246.968938 142.4
[M+H-H2O]+ 191.003040 136.1
[M+HCOO]- 253.003981 149.3
[M+CH3COO]- 267.019631 183.2
[M+Na-2H]- 228.980446 141.0
[M]+ 208.00523142 138.3
[M]- 208.00632858 138.3
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

patents stripe