CID 129915560

6-methyl-2-(trifluoromethyl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H6F3NO
SMILES
CC1=NC(=C(C=C1)C=O)C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c1-5-2-3-6(4-13)7(12-5)8(9,10)11/h2-4H,1H3
InChIKey
BYLQWPYHEIUCLZ-UHFFFAOYSA-N
Compound name
6-methyl-2-(trifluoromethyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 133.2
[M+Na]+ 212.02937 144.0
[M-H]- 188.03287 132.4
[M+NH4]+ 207.07397 152.1
[M+K]+ 228.00331 141.2
[M+H-H2O]+ 172.03741 125.0
[M+HCOO]- 234.03835 152.5
[M+CH3COO]- 248.05400 182.3
[M+Na-2H]- 210.01482 139.6
[M]+ 189.03960 130.7
[M]- 189.04070 130.7
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.