CID 12937200

Iodocyclobutane

Structural Information

Molecular Formula

SMILES

C1CC(C1)I

InChI

InChI=1S/C4H7I/c5-4-2-1-3-4/h4H,1-3H2

InChIKey

DXVOSTCYXXRQEW-UHFFFAOYSA-N

Compound name

iodocyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 643
Patents: 181.95924 Da
Monoisotopic Mass: 2.6
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]+	182.966516	116.8
[M+Na]+	204.948458	116.5
[M-H]-	180.951964	113.8
[M+NH4]+	199.993063	129.9
[M+K]+	220.922398	124.7
[M+H-H2O]+	164.956500	104.7
[M+HCOO]-	226.957441	134.5
[M+CH3COO]-	240.973091	175.4
[M+Na-2H]-	202.933906	112.8
[M]+	181.95869142	120.5
[M]-	181.95978858	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe