CID 11461049

457932-30-8

Structural Information

Molecular Formula
C18H14O5
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)CC(=O)O
InChI
InChI=1S/C18H14O5/c1-22-13-5-3-12(4-6-13)17-10-15(19)14-8-11(9-18(20)21)2-7-16(14)23-17/h2-8,10H,9H2,1H3,(H,20,21)
InChIKey
XBPBZYQYVNAXRM-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.0
[M+Na]+ 333.07336 177.3
[M-H]- 309.07686 175.8
[M+NH4]+ 328.11796 181.7
[M+K]+ 349.04730 174.7
[M+H-H2O]+ 293.08140 159.8
[M+HCOO]- 355.08234 188.6
[M+CH3COO]- 369.09799 204.1
[M+Na-2H]- 331.05881 173.4
[M]+ 310.08359 172.6
[M]- 310.08469 172.6
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