CID 86812366

Methyl 7-fluoro-4-methoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H10FNO3
SMILES
COC1=C2C=C(NC2=C(C=C1)F)C(=O)OC
InChI
InChI=1S/C11H10FNO3/c1-15-9-4-3-7(12)10-6(9)5-8(13-10)11(14)16-2/h3-5,13H,1-2H3
InChIKey
HLBVMTKGHOJWLM-UHFFFAOYSA-N
Compound name
methyl 7-fluoro-4-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06447 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.071746 143.8
[M+Na]+ 246.053688 155.0
[M-H]- 222.057194 145.6
[M+NH4]+ 241.098293 163.6
[M+K]+ 262.027628 151.8
[M+H-H2O]+ 206.061730 137.1
[M+HCOO]- 268.062671 165.8
[M+CH3COO]- 282.078321 186.1
[M+Na-2H]- 244.039136 148.3
[M]+ 223.06392142 147.1
[M]- 223.06501858 147.1
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

No patent data available for this compound.