CID 10542593

1-[4-(benzyloxy)phenyl]-2-bromoethan-1-one

Structural Information

Molecular Formula
C15H13BrO2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)CBr
InChI
InChI=1S/C15H13BrO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
IAPCKPXQFYWNDN-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

304.0099 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01718 161.3
[M+Na]+ 326.99912 171.1
[M-H]- 303.00262 170.1
[M+NH4]+ 322.04372 179.6
[M+K]+ 342.97306 159.8
[M+H-H2O]+ 287.00716 160.2
[M+HCOO]- 349.00810 182.4
[M+CH3COO]- 363.02375 199.5
[M+Na-2H]- 324.98457 167.6
[M]+ 304.00935 181.2
[M]- 304.01045 181.2
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