CID 98378

7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
C1C=CC2C1C(=O)C2(Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-5H,2H2
InChIKey
JBPBARAOHIDZPU-UHFFFAOYSA-N
Compound name
7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

175.97957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 123.4
[M+Na]+ 198.96879 134.6
[M-H]- 174.97229 128.0
[M+NH4]+ 194.01339 143.7
[M+K]+ 214.94273 131.8
[M+H-H2O]+ 158.97683 117.8
[M+HCOO]- 220.97777 137.2
[M+CH3COO]- 234.99342 180.6
[M+Na-2H]- 196.95424 129.8
[M]+ 175.97902 134.6
[M]- 175.98012 134.6
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

No patent data available for this compound.