CID 40578888

W5ngv2uxf7

Structural Information

Molecular Formula
C15H13FO3
SMILES
C[C@@H](C1=CC(=C(C=C1)C2=CC=C(C=C2)O)F)C(=O)O
InChI
InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)/t9-/m0/s1
InChIKey
GTSMMBJBNJDFRA-VIFPVBQESA-N
Compound name
(2S)-2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

23
Patents

260.08487 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.092146 155.9
[M+Na]+ 283.074088 163.6
[M-H]- 259.077594 159.2
[M+NH4]+ 278.118693 171.3
[M+K]+ 299.048028 159.6
[M+H-H2O]+ 243.082130 148.4
[M+HCOO]- 305.083071 174.7
[M+CH3COO]- 319.098721 193.3
[M+Na-2H]- 281.059536 157.4
[M]+ 260.08432142 154.1
[M]- 260.08541858 154.1
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

No patent data available for this compound.