CID 43152919

2-bromo-4,5-diethoxyaniline

Structural Information

Molecular Formula
C10H14BrNO2
SMILES
CCOC1=C(C=C(C(=C1)N)Br)OCC
InChI
InChI=1S/C10H14BrNO2/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2/h5-6H,3-4,12H2,1-2H3
InChIKey
WPDSDLICUNOIPK-UHFFFAOYSA-N
Compound name
2-bromo-4,5-diethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.02078 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02806 148.8
[M+Na]+ 282.01000 160.3
[M-H]- 258.01350 154.9
[M+NH4]+ 277.05460 169.3
[M+K]+ 297.98394 149.4
[M+H-H2O]+ 242.01804 147.9
[M+HCOO]- 304.01898 171.0
[M+CH3COO]- 318.03463 195.7
[M+Na-2H]- 279.99545 154.4
[M]+ 259.02023 169.5
[M]- 259.02133 169.5
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.