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 149.7
[M+Na]+ 293.95364 164.2
[M-H]- 269.95714 154.3
[M+NH4]+ 288.99824 171.2
[M+K]+ 309.92758 152.3
[M+H-H2O]+ 253.96168 149.3
[M+HCOO]- 315.96262 169.4
[M+CH3COO]- 329.97827 191.0
[M+Na-2H]- 291.93909 155.4
[M]+ 270.96387 169.6
[M]- 270.96497 169.6
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.