CID 88356

Terephthalohydroxamic acid

Structural Information

Molecular Formula

C₈H₈N₂O₄

SMILES

C1=CC(=CC=C1C(=O)NO)C(=O)NO

InChI

InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)

InChIKey

YAJCYOUHZABXFT-UHFFFAOYSA-N

Compound name

1-N,4-N-dihydroxybenzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 196.0484 Da
Monoisotopic Mass: -0.5
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]+	197.05568	138.4
[M+Na]+	219.03762	144.4
[M-H]-	195.04112	139.7
[M+NH4]+	214.08222	155.5
[M+K]+	235.01156	142.9
[M+H-H2O]+	179.04566	132.2
[M+HCOO]-	241.04660	161.6
[M+CH3COO]-	255.06225	181.6
[M+Na-2H]-	217.02307	143.5
[M]+	196.04785	135.9
[M]-	196.04895	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe