CID 12799684

1-cyclohexene-1,2-dicarbonyl dichloride

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
C1CCC(=C(C1)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C8H8Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H2
InChIKey
VMKCHECJEOMMJM-UHFFFAOYSA-N
Compound name
cyclohexene-1,2-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

205.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.997406 137.2
[M+Na]+ 228.979348 145.2
[M-H]- 204.982854 140.0
[M+NH4]+ 224.023953 157.3
[M+K]+ 244.953288 141.1
[M+H-H2O]+ 188.987390 133.9
[M+HCOO]- 250.988331 148.6
[M+CH3COO]- 265.003981 182.8
[M+Na-2H]- 226.964796 139.9
[M]+ 205.98958142 137.6
[M]- 205.99067858 137.6
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