CID 395777

Nsc700596

Structural Information

Molecular Formula
C20H11F2NO3
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(C4=NC5=CC=CC=C5O4)(F)F
InChI
InChI=1S/C20H11F2NO3/c21-20(22,19-23-15-6-2-4-8-18(15)25-19)26-12-9-10-17-14(11-12)13-5-1-3-7-16(13)24-17/h1-11H
InChIKey
ZYRIBHYXRGZIDQ-UHFFFAOYSA-N
Compound name
2-[dibenzofuran-2-yloxy(difluoro)methyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0707 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07798 176.0
[M+Na]+ 374.05992 189.2
[M-H]- 350.06342 184.9
[M+NH4]+ 369.10452 191.8
[M+K]+ 390.03386 185.5
[M+H-H2O]+ 334.06796 167.8
[M+HCOO]- 396.06890 195.5
[M+CH3COO]- 410.08455 189.0
[M+Na-2H]- 372.04537 183.7
[M]+ 351.07015 182.6
[M]- 351.07125 182.6
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.