CID 14998828

3-bromo-5-methoxyaniline

Structural Information

Molecular Formula
C7H8BrNO
SMILES
COC1=CC(=CC(=C1)N)Br
InChI
InChI=1S/C7H8BrNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKey
FHUSNGUPJXGLPL-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 133.2
[M+Na]+ 223.96815 136.8
[M+NH4]+ 219.01275 138.7
[M+K]+ 239.94209 136.8
[M-H]- 199.97165 134.7
[M+Na-2H]- 221.95360 137.4
[M]+ 200.97838 132.9
[M]- 200.97948 132.9
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