CID 66691

3-bromo-4-phenylphenol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

247.98367 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 145.5
[M+Na]+ 270.97289 157.2
[M-H]- 246.97639 153.9
[M+NH4]+ 266.01749 165.9
[M+K]+ 286.94683 145.3
[M+H-H2O]+ 230.98093 145.6
[M+HCOO]- 292.98187 166.8
[M+CH3COO]- 306.99752 160.7
[M+Na-2H]- 268.95834 153.6
[M]+ 247.98312 163.0
[M]- 247.98422 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