CID 6678

81-30-1

Structural Information

Molecular Formula
C14H4O6
SMILES
C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H
InChIKey
YTVNOVQHSGMMOV-UHFFFAOYSA-N
Compound name
6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

26187
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 150.6
[M+Na]+ 290.99002 165.9
[M+NH4]+ 286.03462 158.9
[M+K]+ 306.96396 160.4
[M-H]- 266.99352 154.8
[M+Na-2H]- 288.97547 152.6
[M]+ 268.00025 154.0
[M]- 268.00135 154.0
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