CID 236000

1-benzyl-4-bromobenzene

Structural Information

Molecular Formula
C13H11Br
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
NNEOYCMCJMLRSD-UHFFFAOYSA-N
Compound name
1-benzyl-4-bromobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

246.00441 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01169 144.4
[M+Na]+ 268.99363 151.0
[M+NH4]+ 264.03823 151.3
[M+K]+ 284.96757 148.3
[M-H]- 244.99713 148.6
[M+Na-2H]- 266.97908 152.4
[M]+ 246.00386 145.7
[M]- 246.00496 145.7
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