CID 69774

3h-naphtho[2,1-b]pyran-2-carboxylic acid, 3-oxo-, ethyl ester

Structural Information

Molecular Formula
C16H12O4
SMILES
CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O
InChI
InChI=1S/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3
InChIKey
FYOZSKRVTISLHE-UHFFFAOYSA-N
Compound name
ethyl 3-oxobenzo[f]chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

27
Patents

268.07355 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.5
[M+Na]+ 291.06277 166.5
[M-H]- 267.06627 162.6
[M+NH4]+ 286.10737 173.0
[M+K]+ 307.03671 164.2
[M+H-H2O]+ 251.07081 148.2
[M+HCOO]- 313.07175 178.0
[M+CH3COO]- 327.08740 197.9
[M+Na-2H]- 289.04822 164.7
[M]+ 268.07300 162.1
[M]- 268.07410 162.1
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