CID 395774

Nsc700593

Structural Information

Molecular Formula
C18H11F2NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)OC(C3=NC4=CC=CC=C4O3)(F)F
InChI
InChI=1S/C18H11F2NO2/c19-18(20,17-21-15-7-3-4-8-16(15)22-17)23-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKey
VKOZIPHOWYEGKX-UHFFFAOYSA-N
Compound name
2-[difluoro(naphthalen-2-yloxy)methyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07578 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08306 167.9
[M+Na]+ 334.06500 178.9
[M-H]- 310.06850 174.0
[M+NH4]+ 329.10960 183.6
[M+K]+ 350.03894 174.2
[M+H-H2O]+ 294.07304 158.1
[M+HCOO]- 356.07398 187.0
[M+CH3COO]- 370.08963 180.1
[M+Na-2H]- 332.05045 176.4
[M]+ 311.07523 170.2
[M]- 311.07633 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.