CID 32852

Butane, 1,1,2,3,4,4-hexachloro-

Structural Information

Molecular Formula
C4H4Cl6
SMILES
C(C(C(Cl)Cl)Cl)(C(Cl)Cl)Cl
InChI
InChI=1S/C4H4Cl6/c5-1(3(7)8)2(6)4(9)10/h1-4H
InChIKey
SFLXALQSXXPXLU-UHFFFAOYSA-N
Compound name
1,1,2,3,4,4-hexachlorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

261.84442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.851696 148.6
[M+Na]+ 284.833638 153.8
[M-H]- 260.837144 142.1
[M+NH4]+ 279.878243 163.0
[M+K]+ 300.807578 150.3
[M+H-H2O]+ 244.841680 148.2
[M+HCOO]- 306.842621 138.4
[M+CH3COO]- 320.858271 199.8
[M+Na-2H]- 282.819086 145.1
[M]+ 261.84387142 143.7
[M]- 261.84496858 143.7
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