CID 53485591

2,3,6-trifluoropyridine-4-carbaldehyde

Structural Information

Molecular Formula
C6H2F3NO
SMILES
C1=C(C(=C(N=C1F)F)F)C=O
InChI
InChI=1S/C6H2F3NO/c7-4-1-3(2-11)5(8)6(9)10-4/h1-2H
InChIKey
ZATSBEOZHQIYHS-UHFFFAOYSA-N
Compound name
2,3,6-trifluoropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.00885 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01613 122.5
[M+Na]+ 183.99807 134.5
[M-H]- 160.00157 122.0
[M+NH4]+ 179.04267 142.6
[M+K]+ 199.97201 131.9
[M+H-H2O]+ 144.00611 114.3
[M+HCOO]- 206.00705 144.0
[M+CH3COO]- 220.02270 177.7
[M+Na-2H]- 181.98352 128.7
[M]+ 161.00830 120.3
[M]- 161.00940 120.3
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