CID 961083

3-bromo-4-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

556
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

literature stripe

Patent stripe

patents stripe