CID 129958321

3-methoxy-5-(trifluoromethyl)picolinaldehyde

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
COC1=C(N=CC(=C1)C(F)(F)F)C=O
InChI
InChI=1S/C8H6F3NO2/c1-14-7-2-5(8(9,10)11)3-12-6(7)4-13/h2-4H,1H3
InChIKey
QNYIYWJILAOCSS-UHFFFAOYSA-N
Compound name
3-methoxy-5-(trifluoromethyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.03506 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04234 136.5
[M+Na]+ 228.02428 147.2
[M-H]- 204.02778 135.7
[M+NH4]+ 223.06888 154.7
[M+K]+ 243.99822 144.9
[M+H-H2O]+ 188.03232 128.1
[M+HCOO]- 250.03326 156.0
[M+CH3COO]- 264.04891 184.3
[M+Na-2H]- 226.00973 142.9
[M]+ 205.03451 135.4
[M]- 205.03561 135.4
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

patents stripe