CID 12627052

(1-chloroethyl)cyclopropane

Structural Information

Molecular Formula
C5H9Cl
SMILES
CC(C1CC1)Cl
InChI
InChI=1S/C5H9Cl/c1-4(6)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
OLLKVCSBIYCEAV-UHFFFAOYSA-N
Compound name
1-chloroethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

104.039276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 116.1
[M+Na]+ 127.02849 125.8
[M-H]- 103.03200 120.7
[M+NH4]+ 122.07310 135.1
[M+K]+ 143.00243 123.5
[M+H-H2O]+ 87.036536 111.6
[M+HCOO]- 149.03748 135.2
[M+CH3COO]- 163.05313 171.4
[M+Na-2H]- 125.01394 122.9
[M]+ 104.03873 119.1
[M]- 104.03982 119.1
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