CID 49795869

6-fluoro-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8FNO2
SMILES
CC1=C(NC2=C1C=CC(=C2)F)C(=O)O
InChI
InChI=1S/C10H8FNO2/c1-5-7-3-2-6(11)4-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
JGKANEPHGWFOOH-UHFFFAOYSA-N
Compound name
6-fluoro-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

193.05391 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 138.6
[M+Na]+ 216.04313 150.7
[M+NH4]+ 211.08773 145.7
[M+K]+ 232.01707 147.2
[M-H]- 192.04663 137.6
[M+Na-2H]- 214.02858 142.9
[M]+ 193.05336 139.7
[M]- 193.05446 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe