CID 134265259

2-amino-6-bromo-3-methoxybenzamide

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
COC1=C(C(=C(C=C1)Br)C(=O)N)N
InChI
InChI=1S/C8H9BrN2O2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,10H2,1H3,(H2,11,12)
InChIKey
HXOHZCNYVAVTAE-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

243.98474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 143.3
[M+Na]+ 266.973958 154.6
[M-H]- 242.977464 149.1
[M+NH4]+ 262.018563 163.4
[M+K]+ 282.947898 143.3
[M+H-H2O]+ 226.982000 141.9
[M+HCOO]- 288.982941 165.5
[M+CH3COO]- 302.998591 194.3
[M+Na-2H]- 264.959406 147.8
[M]+ 243.98419142 160.1
[M]- 243.98528858 160.1
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