CID 15481

1,2-dichloropentane

Structural Information

Molecular Formula
C5H10Cl2
SMILES
CCCC(CCl)Cl
InChI
InChI=1S/C5H10Cl2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
InChIKey
PPLBPDUKNRCHGG-UHFFFAOYSA-N
Compound name
1,2-dichloropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

339
Patents

140.01596 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02324 125.3
[M+Na]+ 163.00518 133.8
[M-H]- 139.00868 125.0
[M+NH4]+ 158.04978 148.2
[M+K]+ 178.97912 130.4
[M+H-H2O]+ 123.01322 123.0
[M+HCOO]- 185.01416 138.8
[M+CH3COO]- 199.02981 174.1
[M+Na-2H]- 160.99063 130.6
[M]+ 140.01541 128.0
[M]- 140.01651 128.0
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