CID 361185

10-oxabenzo[def]chrysen-9-one

Structural Information

Molecular Formula
C19H10O2
SMILES
C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4OC(=O)C=C5)C=C2
InChI
InChI=1S/C19H10O2/c20-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)21-16)18(13)17(11)12/h1-10H
InChIKey
NHGPSFSQAVBCRE-UHFFFAOYSA-N
Compound name
pyreno[1,2-b]pyran-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

270.06808 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.075356 156.5
[M+Na]+ 293.057298 169.3
[M-H]- 269.060804 164.4
[M+NH4]+ 288.101903 176.2
[M+K]+ 309.031238 164.3
[M+H-H2O]+ 253.065340 147.7
[M+HCOO]- 315.066281 177.3
[M+CH3COO]- 329.081931 170.4
[M+Na-2H]- 291.042746 170.4
[M]+ 270.06753142 163.5
[M]- 270.06862858 163.5
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