CID 521291

4-bromo-4'-methylbiphenyl

Structural Information

Molecular Formula
C13H11Br
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
InChIKey
MYWLXURJCXISCT-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

246.00441 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01169 143.8
[M+Na]+ 268.99363 150.7
[M+NH4]+ 264.03823 150.6
[M+K]+ 284.96757 148.1
[M-H]- 244.99713 148.0
[M+Na-2H]- 266.97908 151.6
[M]+ 246.00386 145.1
[M]- 246.00496 145.1
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