CID 178200117

5-(1,1-difluoroethyl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H7F2NO
SMILES
CC(C1=CN=C(C=C1)C=O)(F)F
InChI
InChI=1S/C8H7F2NO/c1-8(9,10)6-2-3-7(5-12)11-4-6/h2-5H,1H3
InChIKey
SWGJBPQZLBAKFU-UHFFFAOYSA-N
Compound name
5-(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 130.7
[M+Na]+ 194.03880 140.4
[M-H]- 170.04230 130.9
[M+NH4]+ 189.08340 150.0
[M+K]+ 210.01274 138.1
[M+H-H2O]+ 154.04684 123.2
[M+HCOO]- 216.04778 151.1
[M+CH3COO]- 230.06343 179.0
[M+Na-2H]- 192.02425 138.4
[M]+ 171.04903 129.1
[M]- 171.05013 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.