CID 200980

4-(4-bromophenylazo)phenol

Structural Information

Molecular Formula
C12H9BrN2O
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H
InChIKey
YEBZABRSUREBDG-UHFFFAOYSA-N
Compound name
4-[(4-bromophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

16
Patents

275.98984 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99712 150.1
[M+Na]+ 298.97906 161.0
[M-H]- 274.98256 160.7
[M+NH4]+ 294.02366 169.8
[M+K]+ 314.95300 149.5
[M+H-H2O]+ 258.98710 148.0
[M+HCOO]- 320.98804 176.1
[M+CH3COO]- 335.00369 200.4
[M+Na-2H]- 296.96451 159.6
[M]+ 275.98929 168.7
[M]- 275.99039 168.7
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