CID 759367

4-(4-bromophenoxy)aniline

Structural Information

Molecular Formula
C12H10BrNO
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
ZQMNUMBREHBKEB-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

73
Patents

262.99457 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.001846 149.6
[M+Na]+ 285.983788 160.6
[M-H]- 261.987294 158.5
[M+NH4]+ 281.028393 169.3
[M+K]+ 301.957728 148.8
[M+H-H2O]+ 245.991830 148.5
[M+HCOO]- 307.992771 172.4
[M+CH3COO]- 322.008421 194.2
[M+Na-2H]- 283.969236 157.2
[M]+ 262.99402142 167.0
[M]- 262.99511858 167.0
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