CID 130155323

3-bromo-2,6-dimethoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.