CID 93564

2,2-diphenyloxirane

Structural Information

Molecular Formula
C14H12O
SMILES
C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
PRLJMHVNHLTQJJ-UHFFFAOYSA-N
Compound name
2,2-diphenyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

409
Patents

196.08882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 139.9
[M+Na]+ 219.07804 149.4
[M-H]- 195.08154 151.3
[M+NH4]+ 214.12264 154.8
[M+K]+ 235.05198 148.5
[M+H-H2O]+ 179.08608 132.8
[M+HCOO]- 241.08702 164.1
[M+CH3COO]- 255.10267 153.9
[M+Na-2H]- 217.06349 150.3
[M]+ 196.08827 142.5
[M]- 196.08937 142.5
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