CID 129054093

Benzpyrimoxan

Structural Information

Molecular Formula
C16H15F3N2O3
SMILES
C1COC(OC1)C2=CN=CN=C2OCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H15F3N2O3/c17-16(18,19)12-4-2-11(3-5-12)9-24-14-13(8-20-10-21-14)15-22-6-1-7-23-15/h2-5,8,10,15H,1,6-7,9H2
InChIKey
ZYXYTGQFPZEUFX-UHFFFAOYSA-N
Compound name
5-(1,3-dioxan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13515
Patents

340.1035 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11078 181.6
[M+Na]+ 363.09272 192.4
[M+NH4]+ 358.13732 185.9
[M+K]+ 379.06666 186.8
[M-H]- 339.09622 183.3
[M+Na-2H]- 361.07817 186.7
[M]+ 340.10295 183.4
[M]- 340.10405 183.4
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