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 157.5
[M+Na]+ 276.97935 168.9
[M-H]- 252.98285 161.3
[M+NH4]+ 272.02395 182.4
[M+K]+ 292.95329 161.9
[M+H-H2O]+ 236.98739 155.3
[M+HCOO]- 298.98833 167.8
[M+CH3COO]- 313.00398 170.3
[M+Na-2H]- 274.96480 157.6
[M]+ 253.98958 159.7
[M]- 253.99068 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