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

38
Patents

205.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99741 137.2
[M+Na]+ 228.97935 145.2
[M-H]- 204.98285 140.0
[M+NH4]+ 224.02395 157.3
[M+K]+ 244.95329 141.1
[M+H-H2O]+ 188.98739 133.9
[M+HCOO]- 250.98833 148.6
[M+CH3COO]- 265.00398 182.8
[M+Na-2H]- 226.96480 139.9
[M]+ 205.98958 137.6
[M]- 205.99068 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