CID 3068346

Fce 20561

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3OC2(CO)C(=O)O
InChI
InChI=1S/C15H12O4/c16-9-15(14(17)18)12-7-3-1-5-10(12)11-6-2-4-8-13(11)19-15/h1-8,16H,9H2,(H,17,18)
InChIKey
KOBICGCMDRHRRM-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)benzo[c]chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

256.07355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 154.5
[M+Na]+ 279.062768 162.9
[M-H]- 255.066274 158.2
[M+NH4]+ 274.107373 172.6
[M+K]+ 295.036708 160.1
[M+H-H2O]+ 239.070810 148.2
[M+HCOO]- 301.071751 171.2
[M+CH3COO]- 315.087401 166.4
[M+Na-2H]- 277.048216 163.3
[M]+ 256.07300142 155.2
[M]- 256.07409858 155.2
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