CID 78915

5-chloro-1-pentanol

Structural Information

Molecular Formula
C5H11ClO
SMILES
C(CCO)CCCl
InChI
InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2
InChIKey
DCBJCKDOZLTTDW-UHFFFAOYSA-N
Compound name
5-chloropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2722
Patents

122.04984 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 121.4
[M+Na]+ 145.03906 132.9
[M+NH4]+ 140.08366 130.3
[M+K]+ 161.01300 126.3
[M-H]- 121.04256 121.1
[M+Na-2H]- 143.02451 126.0
[M]+ 122.04929 123.1
[M]- 122.05039 123.1
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