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 161.8
[M+Na]+ 311.06899 170.0
[M-H]- 287.07249 165.3
[M+NH4]+ 306.11359 176.1
[M+K]+ 327.04293 165.9
[M+H-H2O]+ 271.07703 154.0
[M+HCOO]- 333.07797 180.6
[M+CH3COO]- 347.09362 199.0
[M+Na-2H]- 309.05444 162.1
[M]+ 288.07922 161.5
[M]- 288.08032 161.5
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.