CID 22667735

3-bromo-2-methoxyaniline

Structural Information

Molecular Formula
C7H8BrNO
SMILES
COC1=C(C=CC=C1Br)N
InChI
InChI=1S/C7H8BrNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChIKey
ZLODWCIXZJMLJL-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
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

No literature data available for this compound.

Patent stripe

patents stripe