CID 154699761

Ns00117497

Structural Information

Molecular Formula
C20H16F7NO2
SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N=CCO2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H16F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-6,8-11,17-18H,7H2,1H3
InChIKey
LAWNGOQIFZBYOQ-UHFFFAOYSA-N
Compound name
2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.10693 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11421 199.5
[M+Na]+ 458.09615 207.6
[M-H]- 434.09965 199.3
[M+NH4]+ 453.14075 206.0
[M+K]+ 474.07009 202.3
[M+H-H2O]+ 418.10419 183.8
[M+HCOO]- 480.10513 206.4
[M+CH3COO]- 494.12078 227.4
[M+Na-2H]- 456.08160 198.5
[M]+ 435.10638 190.7
[M]- 435.10748 190.7
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.