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

124
Patents

208.00578 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01306 139.3
[M+Na]+ 230.99500 146.3
[M-H]- 206.99850 141.8
[M+NH4]+ 226.03960 159.2
[M+K]+ 246.96894 142.4
[M+H-H2O]+ 191.00304 136.1
[M+HCOO]- 253.00398 149.3
[M+CH3COO]- 267.01963 183.2
[M+Na-2H]- 228.98045 141.0
[M]+ 208.00523 138.3
[M]- 208.00633 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