CID 22347396

4-(4-bromophenoxy)benzonitrile

Structural Information

Molecular Formula
C13H8BrNO
SMILES
C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H8BrNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChIKey
RXRIGCPVWWYVQV-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

124
Patents

272.97894 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.986216 151.8
[M+Na]+ 295.968158 165.8
[M-H]- 271.971664 158.6
[M+NH4]+ 291.012763 169.6
[M+K]+ 311.942098 152.7
[M+H-H2O]+ 255.976200 144.4
[M+HCOO]- 317.977141 172.6
[M+CH3COO]- 331.992791 204.8
[M+Na-2H]- 293.953606 158.9
[M]+ 272.97839142 164.3
[M]- 272.97948858 164.3
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