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]+ 172.05686 135.9
[M+Na]+ 194.03880 147.2
[M+NH4]+ 189.08340 142.5
[M+K]+ 210.01274 141.6
[M-H]- 170.04230 134.0
[M+Na-2H]- 192.02425 141.7
[M]+ 171.04903 136.8
[M]- 171.05013 136.8
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.