CID 5768618

(e)-4-styryl-6-(trifluoromethyl)pyrimidin-2(1h)-one

Structural Information

Molecular Formula
C13H9F3N2O
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F
InChI
InChI=1S/C13H9F3N2O/c14-13(15,16)11-8-10(17-12(19)18-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,17,18,19)/b7-6+
InChIKey
RELDXDDLPBWBDF-VOTSOKGWSA-N
Compound name
4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.0667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07398 160.0
[M+Na]+ 289.05592 171.0
[M+NH4]+ 284.10052 164.4
[M+K]+ 305.02986 164.8
[M-H]- 265.05942 157.4
[M+Na-2H]- 287.04137 165.9
[M]+ 266.06615 160.5
[M]- 266.06725 160.5
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