CID 84765880

6-(1,1-difluoroethyl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H7F2NO
SMILES
CC(C1=CC=CC(=N1)C=O)(F)F
InChI
InChI=1S/C8H7F2NO/c1-8(9,10)7-4-2-3-6(5-12)11-7/h2-5H,1H3
InChIKey
BPDOTSGCXKIXTP-UHFFFAOYSA-N
Compound name
6-(1,1-difluoroethyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.056856 130.7
[M+Na]+ 194.038798 140.4
[M-H]- 170.042304 130.9
[M+NH4]+ 189.083403 150.0
[M+K]+ 210.012738 138.1
[M+H-H2O]+ 154.046840 123.2
[M+HCOO]- 216.047781 151.1
[M+CH3COO]- 230.063431 179.0
[M+Na-2H]- 192.024246 138.4
[M]+ 171.04903142 129.1
[M]- 171.05012858 129.1
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.