CID 13218907

2,4-dibromo-6-methoxyaniline

Structural Information

Molecular Formula
C7H7Br2NO
SMILES
COC1=C(C(=CC(=C1)Br)Br)N
InChI
InChI=1S/C7H7Br2NO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3
InChIKey
NGXMWCHDSDVSJY-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

278.88943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.89671 136.5
[M+Na]+ 301.87865 148.0
[M-H]- 277.88215 143.2
[M+NH4]+ 296.92325 156.1
[M+K]+ 317.85259 132.3
[M+H-H2O]+ 261.88669 143.7
[M+HCOO]- 323.88763 153.7
[M+CH3COO]- 337.90328 202.6
[M+Na-2H]- 299.86410 143.3
[M]+ 278.88888 170.0
[M]- 278.88998 170.0
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