CID 23446147

(chloromethyl)cyclobutane

Structural Information

Molecular Formula

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: 94
Patents: 104.039276 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	105.04655	111.6
[M+Na]+	127.02849	119.9
[M+NH4]+	122.07310	118.2
[M+K]+	143.00243	115.1
[M-H]-	103.03200	111.3
[M+Na-2H]-	125.01394	116.4
[M]+	104.03873	111.8
[M]-	104.03982	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe