CID 285906

5-(bromomethyl)-3,3-diphenyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C17H15BrO2
SMILES
C1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CBr
InChI
InChI=1S/C17H15BrO2/c18-12-15-11-17(16(19)20-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey
LFNWFGDMNXCZMD-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.02554 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03282 170.8
[M+Na]+ 353.01476 181.4
[M-H]- 329.01826 183.5
[M+NH4]+ 348.05936 190.5
[M+K]+ 368.98870 170.9
[M+H-H2O]+ 313.02280 170.6
[M+HCOO]- 375.02374 190.9
[M+CH3COO]- 389.03939 184.9
[M+Na-2H]- 351.00021 176.0
[M]+ 330.02499 189.0
[M]- 330.02609 189.0
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