CID 43206

60075-81-2

Structural Information

Molecular Formula

C₁₀H₁₃IO

SMILES

CC(CCO)C1=CC=C(C=C1)I

InChI

InChI=1S/C10H13IO/c1-8(6-7-12)9-2-4-10(11)5-3-9/h2-5,8,12H,6-7H2,1H3

InChIKey

OYCSFEFJBWCHEW-UHFFFAOYSA-N

Compound name

3-(4-iodophenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 276.0011 Da
Monoisotopic Mass: 2.8
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]+	277.00838	147.8
[M+Na]+	298.99032	147.6
[M-H]-	274.99382	143.0
[M+NH4]+	294.03492	162.7
[M+K]+	314.96426	151.1
[M+H-H2O]+	258.99836	138.6
[M+HCOO]-	320.99930	164.3
[M+CH3COO]-	335.01495	187.2
[M+Na-2H]-	296.97577	140.2
[M]+	276.00055	144.8
[M]-	276.00165	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe