CID 23446147

(chloromethyl)cyclobutane

Structural Information

Molecular Formula
C5H9Cl
SMILES
C1CC(C1)CCl
InChI
InChI=1S/C5H9Cl/c6-4-5-2-1-3-5/h5H,1-4H2
InChIKey
QTVRMTUUKBEVAO-UHFFFAOYSA-N
Compound name
chloromethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
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 111.8
[M+Na]+ 127.02849 119.1
[M-H]- 103.03200 115.3
[M+NH4]+ 122.07310 129.5
[M+K]+ 143.00243 119.8
[M+H-H2O]+ 87.036536 103.8
[M+HCOO]- 149.03748 130.1
[M+CH3COO]- 163.05313 170.1
[M+Na-2H]- 125.01394 119.5
[M]+ 104.03873 120.4
[M]- 104.03982 120.4
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