CID 314556

Nsc232474

Structural Information

Molecular Formula
C18H12O4
SMILES
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)O)C(=O)OC4=O
InChI
InChI=1S/C18H12O4/c19-16-14-13-9-5-1-3-7-11(9)18(21,15(14)17(20)22-16)12-8-4-2-6-10(12)13/h1-8,13-15,21H
InChIKey
LNMNOCUGQYJRRK-UHFFFAOYSA-N
Compound name
1-hydroxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07355 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 157.4
[M+Na]+ 315.06277 165.6
[M-H]- 291.06627 162.7
[M+NH4]+ 310.10737 179.5
[M+K]+ 331.03671 161.6
[M+H-H2O]+ 275.07081 149.7
[M+HCOO]- 337.07175 169.3
[M+CH3COO]- 351.08740 168.9
[M+Na-2H]- 313.04822 165.6
[M]+ 292.07300 160.7
[M]- 292.07410 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe