CID 10221019

2,3,6,7-naphthalenetetracarboxylic 2,3:6,7-dianhydride

Structural Information

Molecular Formula
C14H4O6
SMILES
C1=C2C=C3C(=CC2=CC4=C1C(=O)OC4=O)C(=O)OC3=O
InChI
InChI=1S/C14H4O6/c15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11/h1-4H
InChIKey
GIFXHNWKMSFJET-UHFFFAOYSA-N
Compound name
[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3171
Patents

268.0008 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00808 147.2
[M+Na]+ 290.99002 164.4
[M-H]- 266.99352 158.5
[M+NH4]+ 286.03462 168.8
[M+K]+ 306.96396 162.6
[M+H-H2O]+ 250.99806 143.8
[M+HCOO]- 312.99900 173.7
[M+CH3COO]- 327.01465 164.6
[M+Na-2H]- 288.97547 155.9
[M]+ 268.00025 159.2
[M]- 268.00135 159.2
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