CID 15691

3,4,5,6-tetrachlorocyclohexene

Structural Information

Molecular Formula
C6H6Cl4
SMILES
C1=CC(C(C(C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H6Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-6H
InChIKey
CHTOKGBXCBVHQO-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrachlorocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

53
Patents

217.92236 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.929636 139.7
[M+Na]+ 240.911578 149.2
[M-H]- 216.915084 139.8
[M+NH4]+ 235.956183 159.0
[M+K]+ 256.885518 143.8
[M+H-H2O]+ 200.919620 137.8
[M+HCOO]- 262.920561 141.3
[M+CH3COO]- 276.936211 187.4
[M+Na-2H]- 238.897026 141.5
[M]+ 217.92181142 138.4
[M]- 217.92290858 138.4
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

patents stripe