CID 135407308

3-benzoyl-4-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C16H10O4/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,18H
InChIKey
NPVPEQPHXNHHGZ-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

266.05792 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 155.5
[M+Na]+ 289.04714 165.1
[M-H]- 265.05064 163.4
[M+NH4]+ 284.09174 170.9
[M+K]+ 305.02108 162.1
[M+H-H2O]+ 249.05518 148.0
[M+HCOO]- 311.05612 176.7
[M+CH3COO]- 325.07177 168.5
[M+Na-2H]- 287.03259 162.7
[M]+ 266.05737 157.7
[M]- 266.05847 157.7
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