CID 90797

2'-(oxiranylmethoxy)-3-phenylpropiophenone

Structural Information

Molecular Formula
C18H18O3
SMILES
C1C(O1)COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3
InChI
InChI=1S/C18H18O3/c19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15-12-20-15/h1-9,15H,10-13H2
InChIKey
AUZMQKJKLUZHBY-UHFFFAOYSA-N
Compound name
1-[2-(oxiran-2-ylmethoxy)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12558 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 162.5
[M+Na]+ 305.11480 170.1
[M-H]- 281.11830 173.0
[M+NH4]+ 300.15940 171.9
[M+K]+ 321.08874 167.8
[M+H-H2O]+ 265.12284 153.9
[M+HCOO]- 327.12378 185.0
[M+CH3COO]- 341.13943 202.3
[M+Na-2H]- 303.10025 167.9
[M]+ 282.12503 167.8
[M]- 282.12613 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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