CID 4571458

18344-68-8

Structural Information

Molecular Formula
C18H12O4
SMILES
C1C(C(=O)OC1=O)C2C3=CC=CC=C3C(=O)C4=CC=CC=C24
InChI
InChI=1S/C18H12O4/c19-15-9-14(18(21)22-15)16-10-5-1-3-7-12(10)17(20)13-8-4-2-6-11(13)16/h1-8,14,16H,9H2
InChIKey
NVKFFQQWVARVAI-UHFFFAOYSA-N
Compound name
3-(10-oxo-9H-anthracen-9-yl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 162.5
[M+Na]+ 315.06277 172.1
[M-H]- 291.06627 172.2
[M+NH4]+ 310.10737 180.5
[M+K]+ 331.03671 168.3
[M+H-H2O]+ 275.07081 155.7
[M+HCOO]- 337.07175 181.8
[M+CH3COO]- 351.08740 175.3
[M+Na-2H]- 313.04822 166.1
[M]+ 292.07300 163.1
[M]- 292.07410 163.1
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

No patent data available for this compound.