CID 793016

2-bromo-5-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

458
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 132.7
[M+Na]+ 223.96815 144.8
[M-H]- 199.97165 139.0
[M+NH4]+ 219.01275 155.2
[M+K]+ 239.94209 134.1
[M+H-H2O]+ 183.97619 132.6
[M+HCOO]- 245.97713 155.7
[M+CH3COO]- 259.99278 184.1
[M+Na-2H]- 221.95360 140.6
[M]+ 200.97838 150.7
[M]- 200.97948 150.7
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