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
7
Annotation Hits

90
References

100697
Patents

217.98514 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.992416 131.8
[M+Na]+ 240.974358 148.6
[M-H]- 216.977864 141.9
[M+NH4]+ 236.018963 154.4
[M+K]+ 256.948298 148.0
[M+H-H2O]+ 200.982400 129.0
[M+HCOO]- 262.983341 160.1
[M+CH3COO]- 276.998991 185.3
[M+Na-2H]- 238.959806 141.0
[M]+ 217.98459142 143.3
[M]- 217.98568858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe