CID 13396585

95832-07-8

Structural Information

Molecular Formula
C18H19FO3
SMILES
CC(C)C(CC(=O)O)(C1=CC=C(C=C1)C2=CC=C(C=C2)F)O
InChI
InChI=1S/C18H19FO3/c1-12(2)18(22,11-17(20)21)15-7-3-13(4-8-15)14-5-9-16(19)10-6-14/h3-10,12,22H,11H2,1-2H3,(H,20,21)
InChIKey
NMFHEHRYTRSFNQ-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.13184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13912 169.5
[M+Na]+ 325.12106 175.3
[M-H]- 301.12456 172.1
[M+NH4]+ 320.16566 182.9
[M+K]+ 341.09500 171.1
[M+H-H2O]+ 285.12910 161.8
[M+HCOO]- 347.13004 185.6
[M+CH3COO]- 361.14569 201.4
[M+Na-2H]- 323.10651 170.9
[M]+ 302.13129 167.8
[M]- 302.13239 167.8
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.