CID 395775

Nsc700594

Structural Information

Molecular Formula
C18H11F2NO3
SMILES
C1=CC=C2C=C(C(=CC2=C1)O)OC(C3=NC4=CC=CC=C4O3)(F)F
InChI
InChI=1S/C18H11F2NO3/c19-18(20,17-21-13-7-3-4-8-15(13)23-17)24-16-10-12-6-2-1-5-11(12)9-14(16)22/h1-10,22H
InChIKey
AOXSRVNHYXWXLX-UHFFFAOYSA-N
Compound name
3-[1,3-benzoxazol-2-yl(difluoro)methoxy]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07798 171.2
[M+Na]+ 350.05992 182.4
[M-H]- 326.06342 176.4
[M+NH4]+ 345.10452 185.7
[M+K]+ 366.03386 177.7
[M+H-H2O]+ 310.06796 161.8
[M+HCOO]- 372.06890 188.9
[M+CH3COO]- 386.08455 182.9
[M+Na-2H]- 348.04537 178.9
[M]+ 327.07015 173.6
[M]- 327.07125 173.6
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.