CID 74828

6-chloro-1-hexanol

Structural Information

Molecular Formula
C6H13ClO
SMILES
C(CCCCl)CCO
InChI
InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
JNTPTNNCGDAGEJ-UHFFFAOYSA-N
Compound name
6-chlorohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

6466
Patents

136.06549 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07277 127.8
[M+Na]+ 159.05471 135.4
[M-H]- 135.05821 126.5
[M+NH4]+ 154.09931 150.0
[M+K]+ 175.02865 132.6
[M+H-H2O]+ 119.06275 124.6
[M+HCOO]- 181.06369 145.8
[M+CH3COO]- 195.07934 170.5
[M+Na-2H]- 157.04016 134.1
[M]+ 136.06494 130.4
[M]- 136.06604 130.4
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