CID 727

Lindane

Structural Information

Molecular Formula
C6H6Cl6
SMILES
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
InChIKey
JLYXXMFPNIAWKQ-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexachlorocyclohexane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2252
References

105818
Patents

287.86008 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.86736 163.3
[M+Na]+ 310.84930 175.6
[M+NH4]+ 305.89390 170.9
[M+K]+ 326.82324 167.3
[M-H]- 286.85280 163.4
[M+Na-2H]- 308.83475 166.5
[M]+ 287.85953 166.4
[M]- 287.86063 166.4
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