CID 12353

1,5-dichloropentane

Structural Information

Molecular Formula
C5H10Cl2
SMILES
C(CCCl)CCCl
InChI
InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2
InChIKey
LBKDGROORAKTLC-UHFFFAOYSA-N
Compound name
1,5-dichloropentane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

3955
Patents

140.01596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02324 125.4
[M+Na]+ 163.00518 134.1
[M-H]- 139.00868 124.9
[M+NH4]+ 158.04978 148.4
[M+K]+ 178.97912 130.4
[M+H-H2O]+ 123.01322 123.0
[M+HCOO]- 185.01416 139.8
[M+CH3COO]- 199.02981 173.4
[M+Na-2H]- 160.99063 131.9
[M]+ 140.01541 128.7
[M]- 140.01651 128.7
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