CID 137838548

3-[7-fluoro-2-(4-fluorophenyl)-1h-indol-3-yl]propanoic acid

Structural Information

Molecular Formula
C17H13F2NO2
SMILES
C1=CC2=C(C(=C1)F)NC(=C2CCC(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H13F2NO2/c18-11-6-4-10(5-7-11)16-13(8-9-15(21)22)12-2-1-3-14(19)17(12)20-16/h1-7,20H,8-9H2,(H,21,22)
InChIKey
QDTYMGUXMWZKMJ-UHFFFAOYSA-N
Compound name
3-[7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09143 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09871 165.8
[M+Na]+ 324.08065 176.2
[M-H]- 300.08415 167.9
[M+NH4]+ 319.12525 181.3
[M+K]+ 340.05459 169.0
[M+H-H2O]+ 284.08869 156.8
[M+HCOO]- 346.08963 184.3
[M+CH3COO]- 360.10528 176.9
[M+Na-2H]- 322.06610 167.5
[M]+ 301.09088 164.8
[M]- 301.09198 164.8
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.