CID 737853

4361-00-6

Structural Information

Molecular Formula
C14H8O4
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)O
InChI
InChI=1S/C14H8O4/c15-13(16)11-7-10-9-4-2-1-3-8(9)5-6-12(10)18-14(11)17/h1-7H,(H,15,16)
InChIKey
RMHHFZIWCLXRTA-UHFFFAOYSA-N
Compound name
3-oxobenzo[f]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

26
Patents

240.04225 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04953 145.8
[M+Na]+ 263.03147 157.3
[M-H]- 239.03497 152.0
[M+NH4]+ 258.07607 163.7
[M+K]+ 279.00541 154.5
[M+H-H2O]+ 223.03951 139.3
[M+HCOO]- 285.04045 167.5
[M+CH3COO]- 299.05610 159.9
[M+Na-2H]- 261.01692 155.8
[M]+ 240.04170 150.1
[M]- 240.04280 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe