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]+ 218.92964 139.7
[M+Na]+ 240.91158 149.2
[M-H]- 216.91508 139.8
[M+NH4]+ 235.95618 159.0
[M+K]+ 256.88552 143.8
[M+H-H2O]+ 200.91962 137.8
[M+HCOO]- 262.92056 141.3
[M+CH3COO]- 276.93621 187.4
[M+Na-2H]- 238.89703 141.5
[M]+ 217.92181 138.4
[M]- 217.92291 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.