CID 16550

1,2-dichlorohexane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
CCCCC(CCl)Cl
InChI
InChI=1S/C6H12Cl2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKey
ZHFXSKJYCSWRJA-UHFFFAOYSA-N
Compound name
1,2-dichlorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

154.0316 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 128.7
[M+Na]+ 177.02082 141.2
[M+NH4]+ 172.06542 138.3
[M+K]+ 192.99476 133.7
[M-H]- 153.02432 129.1
[M+Na-2H]- 175.00627 133.8
[M]+ 154.03105 131.2
[M]- 154.03215 131.2
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

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