CID 7297

3-chlorocyclopentene

Structural Information

Molecular Formula
C5H7Cl
SMILES
C1CC(C=C1)Cl
InChI
InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2
InChIKey
LPSWJRSLXCPGBK-UHFFFAOYSA-N
Compound name
3-chlorocyclopentene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

995
Patents

102.02363 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03091 117.3
[M+Na]+ 125.01285 126.1
[M-H]- 101.01635 120.8
[M+NH4]+ 120.05745 143.0
[M+K]+ 140.98679 123.6
[M+H-H2O]+ 85.020890 113.4
[M+HCOO]- 147.02183 137.7
[M+CH3COO]- 161.03748 163.9
[M+Na-2H]- 122.99830 123.8
[M]+ 102.02308 116.7
[M]- 102.02418 116.7
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

No patent data available for this compound.