CID 6966

Pyromellitic dianhydride

Structural Information

Molecular Formula

C₁₀H₂O₆

SMILES

C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O

InChI

InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H

InChIKey

ANSXAPJVJOKRDJ-UHFFFAOYSA-N

Compound name

furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 90
References: 93769
Patents: 217.98514 Da
Monoisotopic Mass: 0.7
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]+	218.99242	134.9
[M+Na]+	240.97436	150.2
[M+NH4]+	236.01896	142.3
[M+K]+	256.94830	149.8
[M-H]-	216.97786	138.2
[M+Na-2H]-	238.95981	139.1
[M]+	217.98459	138.0
[M]-	217.98569	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe