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]+ 224.07175 143.8
[M+Na]+ 246.05369 155.0
[M-H]- 222.05719 145.6
[M+NH4]+ 241.09829 163.6
[M+K]+ 262.02763 151.8
[M+H-H2O]+ 206.06173 137.1
[M+HCOO]- 268.06267 165.8
[M+CH3COO]- 282.07832 186.1
[M+Na-2H]- 244.03914 148.3
[M]+ 223.06392 147.1
[M]- 223.06502 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.