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

44
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 136.4
[M+Na]+ 216.04313 147.7
[M-H]- 192.04663 137.0
[M+NH4]+ 211.08773 156.7
[M+K]+ 232.01707 143.3
[M+H-H2O]+ 176.05117 130.3
[M+HCOO]- 238.05211 157.0
[M+CH3COO]- 252.06776 179.2
[M+Na-2H]- 214.02858 140.9
[M]+ 193.05336 136.1
[M]- 193.05446 136.1
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