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

1192
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

literature stripe

Patent stripe

patents stripe