CID 165999728

4-chloro-6-(dimethylamino)-5-fluoropyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H8ClFN2O
SMILES
CN(C)C1=NC=C(C(=C1F)Cl)C=O
InChI
InChI=1S/C8H8ClFN2O/c1-12(2)8-7(10)6(9)5(4-13)3-11-8/h3-4H,1-2H3
InChIKey
QNRIIAXLNABGGI-UHFFFAOYSA-N
Compound name
4-chloro-6-(dimethylamino)-5-fluoropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.03091 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03819 136.7
[M+Na]+ 225.02013 147.7
[M-H]- 201.02363 139.8
[M+NH4]+ 220.06473 156.5
[M+K]+ 240.99407 144.8
[M+H-H2O]+ 185.02817 130.1
[M+HCOO]- 247.02911 156.6
[M+CH3COO]- 261.04476 190.3
[M+Na-2H]- 223.00558 142.0
[M]+ 202.03036 140.0
[M]- 202.03146 140.0
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.