CID 66510777

1060805-64-2

Structural Information

Molecular Formula
C6H3BrClNO
SMILES
C1=C(C(=CN=C1Cl)C=O)Br
InChI
InChI=1S/C6H3BrClNO/c7-5-1-6(8)9-2-4(5)3-10/h1-3H
InChIKey
VIRJSSSWMBEHAG-UHFFFAOYSA-N
Compound name
4-bromo-6-chloropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

218.90865 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.91593 128.9
[M+Na]+ 241.89787 143.8
[M-H]- 217.90137 134.7
[M+NH4]+ 236.94247 151.1
[M+K]+ 257.87181 131.5
[M+H-H2O]+ 201.90591 130.1
[M+HCOO]- 263.90685 146.8
[M+CH3COO]- 277.92250 182.7
[M+Na-2H]- 239.88332 138.4
[M]+ 218.90810 150.2
[M]- 218.90920 150.2
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

patents stripe