CID 3055722

4h-1,3-dioxin-4-one, 2,6-diphenyl-2-methyl-

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1(OC(=CC(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H14O3/c1-17(14-10-6-3-7-11-14)19-15(12-16(18)20-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKey
OIHDXRBWXKZXEL-UHFFFAOYSA-N
Compound name
2-methyl-2,6-diphenyl-1,3-dioxin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 159.9
[M+Na]+ 289.08352 168.0
[M-H]- 265.08702 171.2
[M+NH4]+ 284.12812 175.2
[M+K]+ 305.05746 166.8
[M+H-H2O]+ 249.09156 151.6
[M+HCOO]- 311.09250 180.8
[M+CH3COO]- 325.10815 172.8
[M+Na-2H]- 287.06897 167.8
[M]+ 266.09375 160.4
[M]- 266.09485 160.4
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

patents stripe