CID 72214441

1289021-84-6

Structural Information

Molecular Formula
C6H5BrN2O
SMILES
C1=C(C(=CN=C1Br)N)C=O
InChI
InChI=1S/C6H5BrN2O/c7-6-1-4(3-10)5(8)2-9-6/h1-3H,8H2
InChIKey
GMVNVPABAXNXMK-UHFFFAOYSA-N
Compound name
5-amino-2-bromopyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.95853 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.965806 129.5
[M+Na]+ 222.947748 142.4
[M-H]- 198.951254 134.7
[M+NH4]+ 217.992353 150.8
[M+K]+ 238.921688 131.2
[M+H-H2O]+ 182.955790 129.0
[M+HCOO]- 244.956731 152.0
[M+CH3COO]- 258.972381 182.9
[M+Na-2H]- 220.933196 138.2
[M]+ 199.95798142 147.2
[M]- 199.95907858 147.2
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.