CID 16227647

3-(5-fluoro-2-phenyl-1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C17H14FNO2
SMILES
C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)CCC(=O)O
InChI
InChI=1S/C17H14FNO2/c18-12-6-8-15-14(10-12)13(7-9-16(20)21)17(19-15)11-4-2-1-3-5-11/h1-6,8,10,19H,7,9H2,(H,20,21)
InChIKey
OLRWQHZTBMDOHC-UHFFFAOYSA-N
Compound name
3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

283.10086 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10814 165.1
[M+Na]+ 306.09008 178.7
[M+NH4]+ 301.13468 172.3
[M+K]+ 322.06402 173.0
[M-H]- 282.09358 166.8
[M+Na-2H]- 304.07553 171.7
[M]+ 283.10031 167.4
[M]- 283.10141 167.4
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

patents stripe