CID 302103

Triphenylacrylonitrile epoxide

Structural Information

Molecular Formula
C21H15NO
SMILES
C1=CC=C(C=C1)C2(C(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI
InChI=1S/C21H15NO/c22-16-20(17-10-4-1-5-11-17)21(23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey
JAJRCAWRXJTAKO-UHFFFAOYSA-N
Compound name
2,3,3-triphenyloxirane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11536 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12264 170.8
[M+Na]+ 320.10458 187.8
[M-H]- 296.10808 183.8
[M+NH4]+ 315.14918 183.5
[M+K]+ 336.07852 178.7
[M+H-H2O]+ 280.11262 158.9
[M+HCOO]- 342.11356 191.7
[M+CH3COO]- 356.12921 183.1
[M+Na-2H]- 318.09003 179.8
[M]+ 297.11481 170.1
[M]- 297.11591 170.1
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

No patent data available for this compound.