CID 298133

5-iodo-1,2,3-trimethoxybenzene

Structural Information

Molecular Formula

C₉H₁₁IO₃

SMILES

COC1=CC(=CC(=C1OC)OC)I

InChI

InChI=1S/C9H11IO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3

InChIKey

IWPMQXOVTMABLF-UHFFFAOYSA-N

Compound name

5-iodo-1,2,3-trimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 342
Patents: 293.97528 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]+	294.98256	147.6
[M+Na]+	316.96450	150.1
[M-H]-	292.96800	144.9
[M+NH4]+	312.00910	163.1
[M+K]+	332.93844	155.4
[M+H-H2O]+	276.97254	138.3
[M+HCOO]-	338.97348	167.2
[M+CH3COO]-	352.98913	192.1
[M+Na-2H]-	314.94995	141.0
[M]+	293.97473	150.2
[M]-	293.97583	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe