CID 131322690

5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde

Structural Information

Molecular Formula
C6H2BrClFNO
SMILES
C1=C(C(=C(C(=N1)Cl)F)C=O)Br
InChI
InChI=1S/C6H2BrClFNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1-2H
InChIKey
BMCOSWISHLTTGH-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.89923 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.90651 131.7
[M+Na]+ 259.88845 147.5
[M-H]- 235.89195 136.5
[M+NH4]+ 254.93305 153.4
[M+K]+ 275.86239 134.7
[M+H-H2O]+ 219.89649 132.1
[M+HCOO]- 281.89743 148.6
[M+CH3COO]- 295.91308 186.3
[M+Na-2H]- 257.87390 139.8
[M]+ 236.89868 152.2
[M]- 236.89978 152.2
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.