CID 10452237

Schembl2841591

Structural Information

Molecular Formula
C17H13BrFNO3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H13BrFNO3/c1-20-17(21)15-11-7-14(22-2)12(18)8-13(11)23-16(15)9-3-5-10(19)6-4-9/h3-8H,1-2H3,(H,20,21)
InChIKey
WRWLQGDDUYGZQZ-UHFFFAOYSA-N
Compound name
6-bromo-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

377.0063 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.01358 181.4
[M+Na]+ 399.99552 194.7
[M-H]- 375.99902 191.9
[M+NH4]+ 395.04012 198.9
[M+K]+ 415.96946 183.8
[M+H-H2O]+ 360.00356 179.2
[M+HCOO]- 422.00450 202.6
[M+CH3COO]- 436.02015 215.5
[M+Na-2H]- 397.98097 185.2
[M]+ 377.00575 204.2
[M]- 377.00685 204.2
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

patents stripe