CID 3066125

4-(ethoxymethyl)-3'-bromobiphenyl

Structural Information

Molecular Formula
C15H15BrO
SMILES
CCOCC1=CC=C(C=C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H15BrO/c1-2-17-11-12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-10H,2,11H2,1H3
InChIKey
QUSJCBHKUYHXHC-UHFFFAOYSA-N
Compound name
1-bromo-3-[4-(ethoxymethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.03064 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03792 158.8
[M+Na]+ 313.01986 169.6
[M-H]- 289.02336 167.9
[M+NH4]+ 308.06446 178.2
[M+K]+ 328.99380 157.9
[M+H-H2O]+ 273.02790 157.9
[M+HCOO]- 335.02884 180.4
[M+CH3COO]- 349.04449 198.7
[M+Na-2H]- 311.00531 165.6
[M]+ 290.03009 178.9
[M]- 290.03119 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe