CID 67227038

6-fluoro-4-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8FNO3
SMILES
COC1=CC(=CC2=C1C=C(N2)C(=O)O)F
InChI
InChI=1S/C10H8FNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
FMYHJHUNKLAGJB-UHFFFAOYSA-N
Compound name
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 139.3
[M+Na]+ 232.03805 150.4
[M-H]- 208.04155 139.9
[M+NH4]+ 227.08265 158.9
[M+K]+ 248.01199 146.6
[M+H-H2O]+ 192.04609 133.0
[M+HCOO]- 254.04703 160.1
[M+CH3COO]- 268.06268 181.3
[M+Na-2H]- 230.02350 143.9
[M]+ 209.04828 140.5
[M]- 209.04938 140.5
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