CID 2757035

3-bromo-4'-methoxybiphenyl

Structural Information

Molecular Formula
C13H11BrO
SMILES
COC1=CC=C(C=C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C13H11BrO/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,1H3
InChIKey
UPKCIOJEMVKOAU-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-methoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

261.99933 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00661 149.4
[M+Na]+ 284.98855 161.1
[M-H]- 260.99205 158.9
[M+NH4]+ 280.03315 169.9
[M+K]+ 300.96249 149.9
[M+H-H2O]+ 244.99659 149.0
[M+HCOO]- 306.99753 171.7
[M+CH3COO]- 321.01318 193.1
[M+Na-2H]- 282.97400 157.4
[M]+ 261.99878 168.9
[M]- 261.99988 168.9
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