CID 10831629

269075-49-2

Structural Information

Molecular Formula
C21H13F2NO2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F)N
InChI
InChI=1S/C21H13F2NO2/c22-14-9-10-15(17(23)11-14)12-5-7-13(8-6-12)20(25)21-19(24)16-3-1-2-4-18(16)26-21/h1-11H,24H2
InChIKey
IGVLQGAIICOEBK-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09143 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09871 180.7
[M+Na]+ 372.08065 191.7
[M-H]- 348.08415 190.5
[M+NH4]+ 367.12525 194.8
[M+K]+ 388.05459 185.9
[M+H-H2O]+ 332.08869 170.6
[M+HCOO]- 394.08963 202.7
[M+CH3COO]- 408.10528 192.6
[M+Na-2H]- 370.06610 182.5
[M]+ 349.09088 181.1
[M]- 349.09198 181.1
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.