CID 6956

Phthalamide

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)N)C(=O)N

InChI

InChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)

InChIKey

NAYYNDKKHOIIOD-UHFFFAOYSA-N

Compound name

benzene-1,2-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 15
References: 15737
Patents: 164.05858 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]+	165.06586	132.8
[M+Na]+	187.04780	139.8
[M-H]-	163.05130	135.9
[M+NH4]+	182.09240	152.1
[M+K]+	203.02174	138.2
[M+H-H2O]+	147.05584	126.7
[M+HCOO]-	209.05678	157.3
[M+CH3COO]-	223.07243	182.1
[M+Na-2H]-	185.03325	136.7
[M]+	164.05803	129.3
[M]-	164.05913	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe