CID 67294

Terephthalic dihydrazide

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

C1=CC(=CC=C1C(=O)NN)C(=O)NN

InChI

InChI=1S/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)

InChIKey

ALHNLFMSAXZKRC-UHFFFAOYSA-N

Compound name

benzene-1,4-dicarbohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 4363
Patents: 194.08037 Da
Monoisotopic Mass: -0.9
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]+	195.087646	139.8
[M+Na]+	217.069588	145.2
[M-H]-	193.073094	142.8
[M+NH4]+	212.114193	157.2
[M+K]+	233.043528	143.8
[M+H-H2O]+	177.077630	132.6
[M+HCOO]-	239.078571	166.3
[M+CH3COO]-	253.094221	191.6
[M+Na-2H]-	215.055036	144.3
[M]+	194.07982142	134.6
[M]-	194.08091858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe