CID 22149556

1227605-60-8

Structural Information

Molecular Formula
C6H3BrFNO
SMILES
C1=CC(=C(N=C1C=O)Br)F
InChI
InChI=1S/C6H3BrFNO/c7-6-5(8)2-1-4(3-10)9-6/h1-3H
InChIKey
XLMMMQPNBKSQBF-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

202.9382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.945476 128.1
[M+Na]+ 225.927418 142.0
[M-H]- 201.930924 132.7
[M+NH4]+ 220.972023 150.0
[M+K]+ 241.901358 131.2
[M+H-H2O]+ 185.935460 127.6
[M+HCOO]- 247.936401 149.4
[M+CH3COO]- 261.952051 181.6
[M+Na-2H]- 223.912866 137.1
[M]+ 202.93765142 146.5
[M]- 202.93874858 146.5
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