CID 7130984

3-[2-(4-fluorophenyl)-1h-indol-3-yl]propanoic acid

Structural Information

Molecular Formula
C17H14FNO2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)CCC(=O)O
InChI
InChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)17-14(9-10-16(20)21)13-3-1-2-4-15(13)19-17/h1-8,19H,9-10H2,(H,20,21)
InChIKey
YKHLOIXZUIBBHT-UHFFFAOYSA-N
Compound name
3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 163.0
[M+Na]+ 306.09008 172.4
[M-H]- 282.09358 166.1
[M+NH4]+ 301.13468 179.0
[M+K]+ 322.06402 165.7
[M+H-H2O]+ 266.09812 154.8
[M+HCOO]- 328.09906 182.5
[M+CH3COO]- 342.11471 174.4
[M+Na-2H]- 304.07553 166.0
[M]+ 283.10031 162.6
[M]- 283.10141 162.6
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