CID 395145

Nsc699445

Structural Information

Molecular Formula
C21H14O4
SMILES
C1=CC=C(C=C1)OC2=C(C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H14O4/c22-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)25-21(23)20(19)24-16-6-2-1-3-7-16/h1-13,22H
InChIKey
QETJMUQGNWPAIG-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-3-phenoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.0892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09648 175.5
[M+Na]+ 353.07842 184.9
[M-H]- 329.08192 186.2
[M+NH4]+ 348.12302 187.8
[M+K]+ 369.05236 180.7
[M+H-H2O]+ 313.08646 165.8
[M+HCOO]- 375.08740 196.7
[M+CH3COO]- 389.10305 187.3
[M+Na-2H]- 351.06387 182.4
[M]+ 330.08865 178.0
[M]- 330.08975 178.1
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

patents stripe