CID 185583

(2r,3r)-2,3-diphenyloxirane

Structural Information

Molecular Formula
C14H12O
SMILES
C1=CC=C(C=C1)[C@@H]2[C@H](O2)C3=CC=CC=C3
InChI
InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKey
ARCJQKUWGAZPFX-ZIAGYGMSSA-N
Compound name
(2R,3R)-2,3-diphenyloxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

208
References

8886
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 145.3
[M+Na]+ 219.07804 163.0
[M+NH4]+ 214.12264 156.2
[M+K]+ 235.05198 155.8
[M-H]- 195.08154 160.2
[M+Na-2H]- 217.06349 159.1
[M]+ 196.08827 153.5
[M]- 196.08937 153.5
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