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]+ 271.971696 149.7
[M+Na]+ 293.953638 164.2
[M-H]- 269.957144 154.3
[M+NH4]+ 288.998243 171.2
[M+K]+ 309.927578 152.3
[M+H-H2O]+ 253.961680 149.3
[M+HCOO]- 315.962621 169.4
[M+CH3COO]- 329.978271 191.0
[M+Na-2H]- 291.939086 155.4
[M]+ 270.96387142 169.6
[M]- 270.96496858 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.