CID 125092457

Methyl 5-bromo-6-fluoroindole-2-carboxylate

Structural Information

Molecular Formula
C10H7BrFNO2
SMILES
COC(=O)C1=CC2=CC(=C(C=C2N1)F)Br
InChI
InChI=1S/C10H7BrFNO2/c1-15-10(14)9-3-5-2-6(11)7(12)4-8(5)13-9/h2-4,13H,1H3
InChIKey
VBRGCIKCGOXKDV-UHFFFAOYSA-N
Compound name
methyl 5-bromo-6-fluoro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.96442 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.97170 153.8
[M+Na]+ 293.95364 156.8
[M+NH4]+ 288.99824 157.5
[M+K]+ 309.92758 158.4
[M-H]- 269.95714 152.0
[M+Na-2H]- 291.93909 155.1
[M]+ 270.96387 152.4
[M]- 270.96497 152.4
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.