CID 362322

Nsc625958

Structural Information

Molecular Formula
C18H13FO4
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H13FO4/c1-9-7-13-14(20)8-15(11-3-5-12(19)6-4-11)23-17(13)16(10(9)2)18(21)22/h3-8H,1-2H3,(H,21,22)
InChIKey
IWQBLSUXLYFZKP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.07977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08705 168.1
[M+Na]+ 335.06899 179.6
[M-H]- 311.07249 175.3
[M+NH4]+ 330.11359 182.4
[M+K]+ 351.04293 176.0
[M+H-H2O]+ 295.07703 159.7
[M+HCOO]- 357.07797 187.4
[M+CH3COO]- 371.09362 207.2
[M+Na-2H]- 333.05444 171.4
[M]+ 312.07922 171.2
[M]- 312.08032 171.2
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

No patent data available for this compound.