CID 131390068

Methyl 5-fluoro-4-hydroxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H8FNO3
SMILES
COC(=O)C1=CC2=C(N1)C=CC(=C2O)F
InChI
InChI=1S/C10H8FNO3/c1-15-10(14)8-4-5-7(12-8)3-2-6(11)9(5)13/h2-4,12-13H,1H3
InChIKey
BPPCQHCZCJTMLX-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04883 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05611 139.5
[M+Na]+ 232.03805 150.8
[M-H]- 208.04155 140.2
[M+NH4]+ 227.08265 159.2
[M+K]+ 248.01199 147.0
[M+H-H2O]+ 192.04609 133.3
[M+HCOO]- 254.04703 160.4
[M+CH3COO]- 268.06268 180.7
[M+Na-2H]- 230.02350 144.2
[M]+ 209.04828 140.6
[M]- 209.04938 140.6
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

No patent data available for this compound.