CID 23310906

61466-95-3

Structural Information

Molecular Formula
C15H13FO3
SMILES
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)(C(=O)O)O
InChI
InChI=1S/C15H13FO3/c1-15(19,14(17)18)11-7-8-12(13(16)9-11)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,17,18)
InChIKey
WZESXUMKHKBMLE-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

260.08487 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09215 156.1
[M+Na]+ 283.07409 163.6
[M-H]- 259.07759 159.3
[M+NH4]+ 278.11869 171.4
[M+K]+ 299.04803 159.5
[M+H-H2O]+ 243.08213 148.9
[M+HCOO]- 305.08307 174.3
[M+CH3COO]- 319.09872 191.5
[M+Na-2H]- 281.05954 160.4
[M]+ 260.08432 154.0
[M]- 260.08542 154.0
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