CID 91647596

1-(difluoromethyl)-2-oxo-1,2-dihydropyridine-3-carbaldehyde

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=CN(C(=O)C(=C1)C=O)C(F)F
InChI
InChI=1S/C7H5F2NO2/c8-7(9)10-3-1-2-5(4-11)6(10)12/h1-4,7H
InChIKey
BKXVCHDSFMKENH-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-oxopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.02884 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 127.2
[M+Na]+ 196.01806 137.8
[M-H]- 172.02156 127.7
[M+NH4]+ 191.06266 146.5
[M+K]+ 211.99200 135.7
[M+H-H2O]+ 156.02610 119.5
[M+HCOO]- 218.02704 148.9
[M+CH3COO]- 232.04269 178.8
[M+Na-2H]- 194.00351 132.9
[M]+ 173.02829 126.3
[M]- 173.02939 126.3
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