CID 139594884

Dtxsid001035905

Structural Information

Molecular Formula
C12H12Cl2O2
SMILES
C1C[C@H]2[C@@H]3[C@H]([C@@H]1C2=C(Cl)Cl)C(=O)CCC3=O
InChI
InChI=1S/C12H12Cl2O2/c13-12(14)9-5-1-2-6(9)11-8(16)4-3-7(15)10(5)11/h5-6,10-11H,1-4H2/t5-,6+,10+,11-
InChIKey
FGFGFQIDCXGUTD-OQLLUDSCSA-N
Compound name
(1R,2S,7R,8S)-11-(dichloromethylidene)tricyclo[6.2.1.02,7]undecane-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02142 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02870 161.2
[M+Na]+ 281.01064 170.5
[M-H]- 257.01414 164.1
[M+NH4]+ 276.05524 185.6
[M+K]+ 296.98458 163.7
[M+H-H2O]+ 241.01868 159.0
[M+HCOO]- 303.01962 168.5
[M+CH3COO]- 317.03527 172.7
[M+Na-2H]- 278.99609 159.3
[M]+ 258.02087 160.3
[M]- 258.02197 160.3
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.