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
2
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]+ 436.114206 199.5
[M+Na]+ 458.096148 207.6
[M-H]- 434.099654 199.3
[M+NH4]+ 453.140753 206.0
[M+K]+ 474.070088 202.3
[M+H-H2O]+ 418.104190 183.8
[M+HCOO]- 480.105131 206.4
[M+CH3COO]- 494.120781 227.4
[M+Na-2H]- 456.081596 198.5
[M]+ 435.10638142 190.7
[M]- 435.10747858 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.