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

50
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

literature stripe

Patent stripe

patents stripe