CID 131521886

2090151-38-3

Structural Information

Molecular Formula
C10H6BrFO3
SMILES
COC(=O)C1=CC2=C(O1)C=CC(=C2Br)F
InChI
InChI=1S/C10H6BrFO3/c1-14-10(13)8-4-5-7(15-8)3-2-6(12)9(5)11/h2-4H,1H3
InChIKey
DYZYXNCAVRSFPN-UHFFFAOYSA-N
Compound name
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.94843 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95571 149.4
[M+Na]+ 294.93765 164.3
[M-H]- 270.94115 157.2
[M+NH4]+ 289.98225 171.5
[M+K]+ 310.91159 154.8
[M+H-H2O]+ 254.94569 149.5
[M+HCOO]- 316.94663 171.0
[M+CH3COO]- 330.96228 192.9
[M+Na-2H]- 292.92310 156.3
[M]+ 271.94788 172.4
[M]- 271.94898 172.4
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.