CID 65342479

4-bromo-2-(4-methylphenoxy)aniline

Structural Information

Molecular Formula
C13H12BrNO
SMILES
CC1=CC=C(C=C1)OC2=C(C=CC(=C2)Br)N
InChI
InChI=1S/C13H12BrNO/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,15H2,1H3
InChIKey
BDVSOVIRNMUZTJ-UHFFFAOYSA-N
Compound name
4-bromo-2-(4-methylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01022 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01750 154.0
[M+Na]+ 299.99944 165.5
[M-H]- 276.00294 163.1
[M+NH4]+ 295.04404 173.5
[M+K]+ 315.97338 153.5
[M+H-H2O]+ 260.00748 152.8
[M+HCOO]- 322.00842 176.6
[M+CH3COO]- 336.02407 198.1
[M+Na-2H]- 297.98489 160.5
[M]+ 277.00967 172.2
[M]- 277.01077 172.2
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.