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

42
Patents

207.06955 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.076826 141.1
[M+Na]+ 230.058768 152.0
[M-H]- 206.062274 141.6
[M+NH4]+ 225.103373 160.9
[M+K]+ 246.032708 147.4
[M+H-H2O]+ 190.066810 134.9
[M+HCOO]- 252.067751 161.4
[M+CH3COO]- 266.083401 182.2
[M+Na-2H]- 228.044216 145.1
[M]+ 207.06900142 141.2
[M]- 207.07009858 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