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

244
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 134.9
[M+Na]+ 299.86300 146.6
[M-H]- 275.86650 141.6
[M+NH4]+ 294.90760 154.4
[M+K]+ 315.83694 130.4
[M+H-H2O]+ 259.87104 142.2
[M+HCOO]- 321.87198 152.3
[M+CH3COO]- 335.88763 202.0
[M+Na-2H]- 297.84845 141.8
[M]+ 276.87323 167.9
[M]- 276.87433 167.9
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