CID 13396236

2,5-dichloropent-1-ene

Structural Information

Molecular Formula
C5H8Cl2
SMILES
C=C(CCCCl)Cl
InChI
InChI=1S/C5H8Cl2/c1-5(7)3-2-4-6/h1-4H2
InChIKey
USNTWHNVOCFREU-UHFFFAOYSA-N
Compound name
2,5-dichloropent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

138.0003 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00758 124.1
[M+Na]+ 160.98952 132.8
[M-H]- 136.99302 123.8
[M+NH4]+ 156.03412 147.0
[M+K]+ 176.96346 128.9
[M+H-H2O]+ 120.99756 121.9
[M+HCOO]- 182.99850 137.7
[M+CH3COO]- 197.01415 173.2
[M+Na-2H]- 158.97497 129.4
[M]+ 137.99975 126.1
[M]- 138.00085 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe