CID 80360

2,5-dichloro-2,5-dimethylhexane

Structural Information

Molecular Formula
C8H16Cl2
SMILES
CC(C)(CCC(C)(C)Cl)Cl
InChI
InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
InChIKey
HSTAGCWQAIXJQM-UHFFFAOYSA-N
Compound name
2,5-dichloro-2,5-dimethylhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

762
Patents

182.06291 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07019 139.2
[M+Na]+ 205.05213 147.6
[M-H]- 181.05563 139.2
[M+NH4]+ 200.09673 160.9
[M+K]+ 221.02607 143.7
[M+H-H2O]+ 165.06017 137.2
[M+HCOO]- 227.06111 149.6
[M+CH3COO]- 241.07676 183.0
[M+Na-2H]- 203.03758 145.3
[M]+ 182.06236 142.7
[M]- 182.06346 142.7
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