CID 10266994

Schembl2838534

Structural Information

Molecular Formula
C16H11ClFNO2
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11ClFNO2/c1-19-16(20)14-12-8-10(17)4-7-13(12)21-15(14)9-2-5-11(18)6-3-9/h2-8H,1H3,(H,19,20)
InChIKey
UAOOTRCXSNAVLS-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

303.04623 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05351 166.4
[M+Na]+ 326.03545 178.3
[M-H]- 302.03895 174.7
[M+NH4]+ 321.08005 184.1
[M+K]+ 342.00939 173.0
[M+H-H2O]+ 286.04349 159.4
[M+HCOO]- 348.04443 186.1
[M+CH3COO]- 362.06008 179.8
[M+Na-2H]- 324.02090 170.6
[M]+ 303.04568 171.5
[M]- 303.04678 171.5
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