CID 22139264

3-iodotetrahydrofuran

Structural Information

Molecular Formula

SMILES

C1COCC1I

InChI

InChI=1S/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2

InChIKey

BKIQORJIKOPRCG-UHFFFAOYSA-N

Compound name

3-iodooxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 491
Patents: 197.95416 Da
Monoisotopic Mass: 1.2
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]+	198.96144	123.8
[M+Na]+	220.94338	124.0
[M-H]-	196.94688	120.8
[M+NH4]+	215.98798	142.6
[M+K]+	236.91732	130.8
[M+H-H2O]+	180.95142	115.8
[M+HCOO]-	242.95236	141.8
[M+CH3COO]-	256.96801	171.6
[M+Na-2H]-	218.92883	118.8
[M]+	197.95361	119.4
[M]-	197.95471	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe