CID 293523

2-pyridinecarboxaldehyde, 6-(2-hydroxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl)-

Structural Information

Molecular Formula
C10H7F6NO2
SMILES
C1=CC(=NC(=C1)C=O)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H7F6NO2/c11-9(12,13)8(19,10(14,15)16)4-6-2-1-3-7(5-18)17-6/h1-3,5,19H,4H2
InChIKey
LJLBTPBZYMGHHQ-UHFFFAOYSA-N
Compound name
6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0381 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04538 155.7
[M+Na]+ 310.02732 165.0
[M-H]- 286.03082 149.4
[M+NH4]+ 305.07192 169.3
[M+K]+ 326.00126 161.1
[M+H-H2O]+ 270.03536 145.1
[M+HCOO]- 332.03630 166.4
[M+CH3COO]- 346.05195 195.6
[M+Na-2H]- 308.01277 161.1
[M]+ 287.03755 147.8
[M]- 287.03865 147.8
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.