CID 164167

124428-57-5

Structural Information

Molecular Formula
C17H12F4N2O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCOC2=NC=NC3=C2C=CC=C3F
InChI
InChI=1S/C17H12F4N2O/c18-14-6-2-5-13-15(14)22-10-23-16(13)24-8-7-11-3-1-4-12(9-11)17(19,20)21/h1-6,9-10H,7-8H2
InChIKey
XANDTBFGPGDVSK-UHFFFAOYSA-N
Compound name
8-fluoro-4-[2-[3-(trifluoromethyl)phenyl]ethoxy]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.08856 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09584 176.4
[M+Na]+ 359.07778 186.5
[M-H]- 335.08128 176.2
[M+NH4]+ 354.12238 188.3
[M+K]+ 375.05172 179.6
[M+H-H2O]+ 319.08582 163.1
[M+HCOO]- 381.08676 190.8
[M+CH3COO]- 395.10241 210.0
[M+Na-2H]- 357.06323 181.8
[M]+ 336.08801 173.7
[M]- 336.08911 173.7
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

patents stripe