CID 51342218

1255147-47-7

Structural Information

Molecular Formula
C11H10FNO2
SMILES
CC1=C(NC2=C1C=CC=C2F)C(=O)OC
InChI
InChI=1S/C11H10FNO2/c1-6-7-4-3-5-8(12)10(7)13-9(6)11(14)15-2/h3-5,13H,1-2H3
InChIKey
MUHXAYGORUNHSG-UHFFFAOYSA-N
Compound name
methyl 7-fluoro-3-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06955 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.076826 140.8
[M+Na]+ 230.058768 152.2
[M-H]- 206.062274 142.6
[M+NH4]+ 225.103373 161.4
[M+K]+ 246.032708 148.4
[M+H-H2O]+ 190.066810 134.3
[M+HCOO]- 252.067751 162.6
[M+CH3COO]- 266.083401 184.0
[M+Na-2H]- 228.044216 145.2
[M]+ 207.06900142 142.6
[M]- 207.07009858 142.6
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.