CID 4305471

7,7-dichloro-2,3,4,5-tetramethyl-bicyclo(4.2.0)octa-1(6),2,4-triene

Structural Information

Molecular Formula
C12H14Cl2
SMILES
CC1=C(C(=C2C(=C1C)CC2(Cl)Cl)C)C
InChI
InChI=1S/C12H14Cl2/c1-6-7(2)9(4)11-10(8(6)3)5-12(11,13)14/h5H2,1-4H3
InChIKey
ZEQOPJDFEDAUJR-UHFFFAOYSA-N
Compound name
7,7-dichloro-2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04726 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05454 138.6
[M+Na]+ 251.03648 151.5
[M-H]- 227.03998 143.7
[M+NH4]+ 246.08108 156.5
[M+K]+ 267.01042 148.0
[M+H-H2O]+ 211.04452 132.4
[M+HCOO]- 273.04546 151.3
[M+CH3COO]- 287.06111 196.7
[M+Na-2H]- 249.02193 143.7
[M]+ 228.04671 152.9
[M]- 228.04781 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.