CID 807

Iodine

Structural Information

Molecular Formula

I₂

SMILES

II

InChI

InChI=1S/I2/c1-2

InChIKey

PNDPGZBMCMUPRI-UHFFFAOYSA-N

Compound name

molecular iodine

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 28190
References: 219665
Patents: 253.80894 Da
Monoisotopic Mass: 1.7
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]+	254.81622	111.8
[M+Na]+	276.79816	106.3
[M-H]-	252.80166	101.8
[M+NH4]+	271.84276	125.5
[M+K]+	292.77210	118.4
[M+H-H2O]+	236.80620	102.6
[M+HCOO]-	298.80714	125.3
[M+CH3COO]-	312.82279	184.0
[M+Na-2H]-	274.78361	103.0
[M]+	253.80839	107.0
[M]-	253.80949	107.0

Literature stripe

literature stripe

Patent stripe

patents stripe