CID 232270

2-bromo-6-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 132.7
[M+Na]+ 223.968148 144.8
[M-H]- 199.971654 139.0
[M+NH4]+ 219.012753 155.2
[M+K]+ 239.942088 134.1
[M+H-H2O]+ 183.976190 132.6
[M+HCOO]- 245.977131 155.7
[M+CH3COO]- 259.992781 184.1
[M+Na-2H]- 221.953596 140.6
[M]+ 200.97838142 150.7
[M]- 200.97947858 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

No literature data available for this compound.

Patent stripe

patents stripe