CID 363676

Nsc628748

Structural Information

Molecular Formula
C18H14O5
SMILES
CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C18H14O5/c1-11(18(20)21)22-13-7-8-14-15(19)10-16(23-17(14)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKey
DSSCQSMLZSNTGR-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylchromen-7-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 167.9
[M+Na]+ 333.07336 176.0
[M-H]- 309.07686 175.4
[M+NH4]+ 328.11796 181.2
[M+K]+ 349.04730 173.9
[M+H-H2O]+ 293.08140 159.8
[M+HCOO]- 355.08234 187.5
[M+CH3COO]- 369.09799 203.8
[M+Na-2H]- 331.05881 172.9
[M]+ 310.08359 171.5
[M]- 310.08469 171.5
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

No patent data available for this compound.