CID 125482489

1-iodo-4-isopropyl-2-methoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₃IO

SMILES

CC(C)C1=CC(=C(C=C1)I)OC

InChI

InChI=1S/C10H13IO/c1-7(2)8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3

InChIKey

UJJTVYBIFNPFGA-UHFFFAOYSA-N

Compound name

1-iodo-2-methoxy-4-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 276.0011 Da
Monoisotopic Mass: 3.7
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	144.5
[M+Na]+	298.99032	145.6
[M-H]-	274.99382	141.4
[M+NH4]+	294.03492	160.4
[M+K]+	314.96426	150.1
[M+H-H2O]+	258.99836	135.4
[M+HCOO]-	320.99930	162.5
[M+CH3COO]-	335.01495	190.8
[M+Na-2H]-	296.97577	137.0
[M]+	276.00055	143.7
[M]-	276.00165	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe