CID 39669

50439-08-2

Structural Information

Molecular Formula
C16H13FO4
SMILES
CC1=CC(=CC(=C1O)C(=O)O)C(=O)CC2=CC=C(C=C2)F
InChI
InChI=1S/C16H13FO4/c1-9-6-11(8-13(15(9)19)16(20)21)14(18)7-10-2-4-12(17)5-3-10/h2-6,8,19H,7H2,1H3,(H,20,21)
InChIKey
RWOCMBGJVOHSLJ-UHFFFAOYSA-N
Compound name
5-[2-(4-fluorophenyl)acetyl]-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08705 165.7
[M+Na]+ 311.06899 178.0
[M+NH4]+ 306.11359 171.3
[M+K]+ 327.04293 172.8
[M-H]- 287.07249 166.4
[M+Na-2H]- 309.05444 171.1
[M]+ 288.07922 167.4
[M]- 288.08032 167.4
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.