CID 22571798

4-bromo-3,5-dimethoxyaniline

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
COC1=CC(=CC(=C1Br)OC)N
InChI
InChI=1S/C8H10BrNO2/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4H,10H2,1-2H3
InChIKey
MJINXEUETHLORE-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

230.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.996766 139.5
[M+Na]+ 253.978708 151.9
[M-H]- 229.982214 145.9
[M+NH4]+ 249.023313 161.1
[M+K]+ 269.952648 141.4
[M+H-H2O]+ 213.986750 139.1
[M+HCOO]- 275.987691 162.3
[M+CH3COO]- 290.003341 190.0
[M+Na-2H]- 251.964156 146.2
[M]+ 230.98894142 159.5
[M]- 230.99003858 159.5
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

patents stripe