CID 102447

2,3-dichloropentane

Structural Information

Molecular Formula
C5H10Cl2
SMILES
CCC(C(C)Cl)Cl
InChI
InChI=1S/C5H10Cl2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3
InChIKey
HVFJQRZGBBKTPL-UHFFFAOYSA-N
Compound name
2,3-dichloropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

301
Patents

140.01596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02324 124.9
[M+Na]+ 163.00518 133.2
[M-H]- 139.00868 124.7
[M+NH4]+ 158.04978 147.8
[M+K]+ 178.97912 130.2
[M+H-H2O]+ 123.01322 122.8
[M+HCOO]- 185.01416 137.5
[M+CH3COO]- 199.02981 175.0
[M+Na-2H]- 160.99063 129.0
[M]+ 140.01541 127.0
[M]- 140.01651 127.0
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