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]+ 311.091416 168.0
[M+Na]+ 333.073358 177.3
[M-H]- 309.076864 175.8
[M+NH4]+ 328.117963 181.7
[M+K]+ 349.047298 174.7
[M+H-H2O]+ 293.081400 159.8
[M+HCOO]- 355.082341 188.6
[M+CH3COO]- 369.097991 204.1
[M+Na-2H]- 331.058806 173.4
[M]+ 310.08359142 172.6
[M]- 310.08468858 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