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
3
Annotation Hits

2
References

5866
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 125.9
[M+Na]+ 159.05471 137.2
[M+NH4]+ 154.09931 134.6
[M+K]+ 175.02865 130.3
[M-H]- 135.05821 125.5
[M+Na-2H]- 157.04016 130.3
[M]+ 136.06494 127.5
[M]- 136.06604 127.5
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