CID 688305

2-amino-3,5-dibromobenzaldehyde

Structural Information

Molecular Formula
C7H5Br2NO
SMILES
C1=C(C=C(C(=C1C=O)N)Br)Br
InChI
InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
InChIKey
RCPAZWISSAVDEA-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

174
Patents

276.87378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.88106 144.6
[M+Na]+ 299.86300 139.9
[M+NH4]+ 294.90760 146.6
[M+K]+ 315.83694 146.2
[M-H]- 275.86650 145.6
[M+Na-2H]- 297.84845 146.2
[M]+ 276.87323 143.1
[M]- 276.87433 143.1
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