CID 4185816

(1-bromo-3-phenylpropyl)benzene

Structural Information

Molecular Formula
C15H15Br
SMILES
C1=CC=C(C=C1)CCC(C2=CC=CC=C2)Br
InChI
InChI=1S/C15H15Br/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKey
KXXKAPVCOQGZGB-UHFFFAOYSA-N
Compound name
(1-bromo-3-phenylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.0357 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04298 153.0
[M+Na]+ 297.02492 158.6
[M+NH4]+ 292.06952 159.4
[M+K]+ 312.99886 155.9
[M-H]- 273.02842 156.8
[M+Na-2H]- 295.01037 160.2
[M]+ 274.03515 153.9
[M]- 274.03625 153.9
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