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]+ 264.00185 149.6
[M+Na]+ 285.98379 160.6
[M-H]- 261.98729 158.5
[M+NH4]+ 281.02839 169.3
[M+K]+ 301.95773 148.8
[M+H-H2O]+ 245.99183 148.5
[M+HCOO]- 307.99277 172.4
[M+CH3COO]- 322.00842 194.2
[M+Na-2H]- 283.96924 157.2
[M]+ 262.99402 167.0
[M]- 262.99512 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.