CID 72183171

1289001-34-8

Structural Information

Molecular Formula
C6H5BrN2O
SMILES
C1=C(C(=C(C=N1)Br)N)C=O
InChI
InChI=1S/C6H5BrN2O/c7-5-2-9-1-4(3-10)6(5)8/h1-3H,(H2,8,9)
InChIKey
ZBWQOHAQWISSDZ-UHFFFAOYSA-N
Compound name
4-amino-5-bromopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.95853 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96581 129.5
[M+Na]+ 222.94775 142.4
[M-H]- 198.95125 134.7
[M+NH4]+ 217.99235 150.8
[M+K]+ 238.92169 131.2
[M+H-H2O]+ 182.95579 129.0
[M+HCOO]- 244.95673 152.0
[M+CH3COO]- 258.97238 182.9
[M+Na-2H]- 220.93320 138.2
[M]+ 199.95798 147.2
[M]- 199.95908 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.