CID 85417

16434-97-2

Structural Information

Molecular Formula
C12H9BrO
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C12H9BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H
InChIKey
AWIYHSVPCXSVRF-UHFFFAOYSA-N
Compound name
4-bromo-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

247.98367 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.990946 145.5
[M+Na]+ 270.972888 157.2
[M-H]- 246.976394 153.9
[M+NH4]+ 266.017493 165.9
[M+K]+ 286.946828 145.3
[M+H-H2O]+ 230.980930 145.6
[M+HCOO]- 292.981871 166.8
[M+CH3COO]- 306.997521 160.7
[M+Na-2H]- 268.958336 153.6
[M]+ 247.98312142 163.0
[M]- 247.98421858 163.0
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