CID 10977

1-chloropentane

Structural Information

Molecular Formula
C5H11Cl
SMILES
CCCCCCl
InChI
InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey
SQCZQTSHSZLZIQ-UHFFFAOYSA-N
Compound name
1-chloropentane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

71400
Patents

106.05493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06221 119.4
[M+Na]+ 129.04415 127.8
[M-H]- 105.04765 119.7
[M+NH4]+ 124.08875 143.6
[M+K]+ 145.01809 125.9
[M+H-H2O]+ 89.052190 116.4
[M+HCOO]- 151.05313 139.0
[M+CH3COO]- 165.06878 168.4
[M+Na-2H]- 127.02960 126.8
[M]+ 106.05438 122.0
[M]- 106.05548 122.0
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