CID 108646

54955-29-2

Structural Information

Molecular Formula
C15H11FO3
SMILES
C1=CC=C(C(=C1)CC(=O)C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C15H11FO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h1-8H,9H2,(H,18,19)
InChIKey
BDNMWBHSKATDFB-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-2-oxoethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.0692 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07648 154.8
[M+Na]+ 281.05842 162.3
[M-H]- 257.06192 159.1
[M+NH4]+ 276.10302 170.5
[M+K]+ 297.03236 158.4
[M+H-H2O]+ 241.06646 146.8
[M+HCOO]- 303.06740 175.3
[M+CH3COO]- 317.08305 193.7
[M+Na-2H]- 279.04387 157.4
[M]+ 258.06865 153.7
[M]- 258.06975 153.7
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