CID 75995303

9-(dichloromethylene)-1,4,4a,8a-tetrahydro-1,4-methanonaphthalene-5,8-dione

Structural Information

Molecular Formula
C12H8Cl2O2
SMILES
C1=CC2C3C(C1C2=C(Cl)Cl)C(=O)C=CC3=O
InChI
InChI=1S/C12H8Cl2O2/c13-12(14)9-5-1-2-6(9)11-8(16)4-3-7(15)10(5)11/h1-6,10-11H
InChIKey
AESKOCVQJWIWFS-UHFFFAOYSA-N
Compound name
11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.99013 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99741 148.2
[M+Na]+ 276.97935 160.3
[M+NH4]+ 272.02395 158.0
[M+K]+ 292.95329 156.4
[M-H]- 252.98285 148.7
[M+Na-2H]- 274.96480 149.5
[M]+ 253.98958 150.4
[M]- 253.99068 150.4
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