CID 64505732

4-(4-bromophenyl)-1-phenylbutan-1-one

Structural Information

Molecular Formula
C16H15BrO
SMILES
C1=CC=C(C=C1)C(=O)CCCC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H15BrO/c17-15-11-9-13(10-12-15)5-4-8-16(18)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2
InChIKey
JVHPRBJJKZQBPR-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.03064 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03792 163.0
[M+Na]+ 325.01986 172.5
[M-H]- 301.02336 171.6
[M+NH4]+ 320.06446 181.5
[M+K]+ 340.99380 160.4
[M+H-H2O]+ 285.02790 162.0
[M+HCOO]- 347.02884 183.5
[M+CH3COO]- 361.04449 200.5
[M+Na-2H]- 323.00531 168.8
[M]+ 302.03009 181.8
[M]- 302.03119 181.8
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.