CID 151668917

4-ethyl-6-fluoro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H10FNO2
SMILES
CCC1=C2C=C(NC2=CC(=C1)F)C(=O)O
InChI
InChI=1S/C11H10FNO2/c1-2-6-3-7(12)4-9-8(6)5-10(13-9)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
InChIKey
QYCSIKHSEMNESF-UHFFFAOYSA-N
Compound name
4-ethyl-6-fluoro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

207.06955 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07683 141.1
[M+Na]+ 230.05877 152.0
[M-H]- 206.06227 141.6
[M+NH4]+ 225.10337 160.9
[M+K]+ 246.03271 147.4
[M+H-H2O]+ 190.06681 134.9
[M+HCOO]- 252.06775 161.4
[M+CH3COO]- 266.08340 182.2
[M+Na-2H]- 228.04422 145.1
[M]+ 207.06900 141.2
[M]- 207.07010 141.2
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