CID 414076

2-bromo-4,5-dimethoxyaniline

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
COC1=C(C=C(C(=C1)N)Br)OC
InChI
InChI=1S/C8H10BrNO2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,10H2,1-2H3
InChIKey
FZPJGMHMEFSPED-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

230.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99677 139.5
[M+Na]+ 253.97871 151.9
[M-H]- 229.98221 145.9
[M+NH4]+ 249.02331 161.1
[M+K]+ 269.95265 141.4
[M+H-H2O]+ 213.98675 139.1
[M+HCOO]- 275.98769 162.3
[M+CH3COO]- 290.00334 190.0
[M+Na-2H]- 251.96416 146.2
[M]+ 230.98894 159.5
[M]- 230.99004 159.5
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