CID 2750000

(2-bromo-3-phenylpropyl)benzene

Structural Information

Molecular Formula
C15H15Br
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)Br
InChI
InChI=1S/C15H15Br/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey
WRDJEAGKAJGLNM-UHFFFAOYSA-N
Compound name
(2-bromo-3-phenylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

274.0357 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04298 157.2
[M+Na]+ 297.02492 166.1
[M-H]- 273.02842 165.6
[M+NH4]+ 292.06952 176.6
[M+K]+ 312.99886 154.3
[M+H-H2O]+ 257.03296 156.5
[M+HCOO]- 319.03390 177.7
[M+CH3COO]- 333.04955 195.7
[M+Na-2H]- 295.01037 164.2
[M]+ 274.03515 174.6
[M]- 274.03625 174.6
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