CID 40956

53992-24-8

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C16H10O4/c17-15(19-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)18/h1-10H
InChIKey
OZSQFAOGBXJZMW-UHFFFAOYSA-N
Compound name
phenyl 2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

266.05792 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.065196 155.5
[M+Na]+ 289.047138 164.7
[M-H]- 265.050644 164.4
[M+NH4]+ 284.091743 171.4
[M+K]+ 305.021078 162.5
[M+H-H2O]+ 249.055180 147.5
[M+HCOO]- 311.056121 178.3
[M+CH3COO]- 325.071771 195.2
[M+Na-2H]- 287.032586 163.9
[M]+ 266.05737142 159.0
[M]- 266.05846858 159.0
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