CID 237773

[3-(bromomethyl)-3-phenyloxiran-2-yl](phenyl)methanone

Structural Information

Molecular Formula
C16H13BrO2
SMILES
C1=CC=C(C=C1)C(=O)C2C(O2)(CBr)C3=CC=CC=C3
InChI
InChI=1S/C16H13BrO2/c17-11-16(13-9-5-2-6-10-13)15(19-16)14(18)12-7-3-1-4-8-12/h1-10,15H,11H2
InChIKey
PNXBIYWYSDILPG-UHFFFAOYSA-N
Compound name
[3-(bromomethyl)-3-phenyloxiran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0099 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01718 163.1
[M+Na]+ 338.99912 175.2
[M-H]- 315.00262 176.3
[M+NH4]+ 334.04372 177.2
[M+K]+ 354.97306 166.0
[M+H-H2O]+ 299.00716 162.4
[M+HCOO]- 361.00810 183.5
[M+CH3COO]- 375.02375 177.3
[M+Na-2H]- 336.98457 171.0
[M]+ 316.00935 184.7
[M]- 316.01045 184.7
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.