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

3
Patents

256.07355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 154.5
[M+Na]+ 279.06277 162.9
[M-H]- 255.06627 158.2
[M+NH4]+ 274.10737 172.6
[M+K]+ 295.03671 160.1
[M+H-H2O]+ 239.07081 148.2
[M+HCOO]- 301.07175 171.2
[M+CH3COO]- 315.08740 166.4
[M+Na-2H]- 277.04822 163.3
[M]+ 256.07300 155.2
[M]- 256.07410 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