CID 118704032

1227602-74-5

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)C=O
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-12)6(13)11-5/h1-3H,(H,11,13)
InChIKey
JGMFXPJFRMZVMH-UHFFFAOYSA-N
Compound name
2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02669 131.5
[M+Na]+ 214.00863 142.4
[M-H]- 190.01213 129.4
[M+NH4]+ 209.05323 149.4
[M+K]+ 229.98257 138.8
[M+H-H2O]+ 174.01667 123.6
[M+HCOO]- 236.01761 150.0
[M+CH3COO]- 250.03326 177.8
[M+Na-2H]- 211.99408 137.8
[M]+ 191.01886 127.4
[M]- 191.01996 127.4
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.