CID 46835634

6-fluoro-1h-indole-4-carboxylic acid methyl ester

Structural Information

Molecular Formula
C10H8FNO2
SMILES
COC(=O)C1=C2C=CNC2=CC(=C1)F
InChI
InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChIKey
CKFPLBCOOZCPOR-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-1H-indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

193.05391 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 136.4
[M+Na]+ 216.04313 147.3
[M-H]- 192.04663 138.0
[M+NH4]+ 211.08773 157.2
[M+K]+ 232.01707 143.7
[M+H-H2O]+ 176.05117 129.8
[M+HCOO]- 238.05211 158.5
[M+CH3COO]- 252.06776 179.8
[M+Na-2H]- 214.02858 142.1
[M]+ 193.05336 137.5
[M]- 193.05446 137.5
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