CID 21396312

5-fluoro-4-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8FNO2
SMILES
CC1=C(C=CC2=C1C=C(N2)C(=O)O)F
InChI
InChI=1S/C10H8FNO2/c1-5-6-4-9(10(13)14)12-8(6)3-2-7(5)11/h2-4,12H,1H3,(H,13,14)
InChIKey
VYRUSCDHMAEATM-UHFFFAOYSA-N
Compound name
5-fluoro-4-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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

No literature data available for this compound.

Patent stripe

patents stripe