CID 542895

2,6-dibromo-4-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

No literature data available for this compound.

Patent stripe

patents stripe