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]+ 278.017496 154.0
[M+Na]+ 299.999438 165.5
[M-H]- 276.002944 163.1
[M+NH4]+ 295.044043 173.5
[M+K]+ 315.973378 153.5
[M+H-H2O]+ 260.007480 152.8
[M+HCOO]- 322.008421 176.6
[M+CH3COO]- 336.024071 198.1
[M+Na-2H]- 297.984886 160.5
[M]+ 277.00967142 172.2
[M]- 277.01076858 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.