CID 212218

23964-37-6

Structural Information

Molecular Formula

C₈H₈I₂N₂O₂

SMILES

COC1=C(C=C(C=C1I)C(=O)NN)I

InChI

InChI=1S/C8H8I2N2O2/c1-14-7-5(9)2-4(3-6(7)10)8(13)12-11/h2-3H,11H2,1H3,(H,12,13)

InChIKey

YUXQRQJBJCNOND-UHFFFAOYSA-N

Compound name

3,5-diiodo-4-methoxybenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 417.86752 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]+	418.87480	165.1
[M+Na]+	440.85674	158.4
[M-H]-	416.86024	157.0
[M+NH4]+	435.90134	172.8
[M+K]+	456.83068	168.4
[M+H-H2O]+	400.86478	152.8
[M+HCOO]-	462.86572	177.9
[M+CH3COO]-	476.88137	211.1
[M+Na-2H]-	438.84219	150.3
[M]+	417.86697	159.8
[M]-	417.86807	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe