CID 98511

Cis-stilbene oxide

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+
InChIKey
ARCJQKUWGAZPFX-OKILXGFUSA-N
Compound name
(2R,3S)-2,3-diphenyloxirane
Related CIDs

2D Structure

compound 2d structure
4
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 138.2
[M+Na]+ 219.07804 147.9
[M-H]- 195.08154 149.5
[M+NH4]+ 214.12264 151.4
[M+K]+ 235.05198 145.8
[M+H-H2O]+ 179.08608 130.6
[M+HCOO]- 241.08702 162.7
[M+CH3COO]- 255.10267 152.2
[M+Na-2H]- 217.06349 147.1
[M]+ 196.08827 140.7
[M]- 196.08937 140.7
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