CID 17571587

3-(6-fluoro-1h-indol-1-yl)propanoic acid

Structural Information

Molecular Formula
C11H10FNO2
SMILES
C1=CC(=CC2=C1C=CN2CCC(=O)O)F
InChI
InChI=1S/C11H10FNO2/c12-9-2-1-8-3-5-13(10(8)7-9)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15)
InChIKey
YRECVZUOVYPVTM-UHFFFAOYSA-N
Compound name
3-(6-fluoroindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.06955 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07683 140.9
[M+Na]+ 230.05877 151.3
[M-H]- 206.06227 142.3
[M+NH4]+ 225.10337 161.1
[M+K]+ 246.03271 147.5
[M+H-H2O]+ 190.06681 134.1
[M+HCOO]- 252.06775 162.7
[M+CH3COO]- 266.08340 183.5
[M+Na-2H]- 228.04422 146.1
[M]+ 207.06900 142.4
[M]- 207.07010 142.4
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