CID 10499923

269075-53-8

Structural Information

Molecular Formula
C22H15F2NO3
SMILES
COC1=CC=CC2=C1OC(=C2N)C(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H15F2NO3/c1-27-18-4-2-3-16-19(25)22(28-21(16)18)20(26)13-7-5-12(6-8-13)15-10-9-14(23)11-17(15)24/h2-11H,25H2,1H3
InChIKey
HXPCUOWZUAJESC-UHFFFAOYSA-N
Compound name
(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.102 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10928 189.0
[M+Na]+ 402.09122 200.2
[M-H]- 378.09472 199.0
[M+NH4]+ 397.13582 202.0
[M+K]+ 418.06516 195.0
[M+H-H2O]+ 362.09926 178.7
[M+HCOO]- 424.10020 210.8
[M+CH3COO]- 438.11585 200.6
[M+Na-2H]- 400.07667 189.6
[M]+ 379.10145 191.5
[M]- 379.10255 191.5
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

No patent data available for this compound.