CID 70252

Chlorocyclopentane

Structural Information

Molecular Formula
C5H9Cl
SMILES
C1CCC(C1)Cl
InChI
InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKey
NDTCXABJQNJPCF-UHFFFAOYSA-N
Compound name
chlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3507
Patents

104.039276 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 119.8
[M+Na]+ 127.02849 127.4
[M-H]- 103.03200 122.8
[M+NH4]+ 122.07310 145.2
[M+K]+ 143.00243 125.2
[M+H-H2O]+ 87.036536 115.8
[M+HCOO]- 149.03748 138.7
[M+CH3COO]- 163.05313 164.3
[M+Na-2H]- 125.01394 125.2
[M]+ 104.03873 117.6
[M]- 104.03982 117.6
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