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]+ 254.997406 157.5
[M+Na]+ 276.979348 168.9
[M-H]- 252.982854 161.3
[M+NH4]+ 272.023953 182.4
[M+K]+ 292.953288 161.9
[M+H-H2O]+ 236.987390 155.3
[M+HCOO]- 298.988331 167.8
[M+CH3COO]- 313.003981 170.3
[M+Na-2H]- 274.964796 157.6
[M]+ 253.98958142 159.7
[M]- 253.99067858 159.7
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