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

3292
Patents

122.04984 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.057116 123.2
[M+Na]+ 145.039058 131.2
[M-H]- 121.042564 122.0
[M+NH4]+ 140.083663 145.9
[M+K]+ 161.012998 128.6
[M+H-H2O]+ 105.047100 120.2
[M+HCOO]- 167.048041 141.5
[M+CH3COO]- 181.063691 167.5
[M+Na-2H]- 143.024506 130.0
[M]+ 122.04929142 125.3
[M]- 122.05038858 125.3
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