CID 11651170

3,5-difluoropyridine-4-carbaldehyde

Structural Information

Molecular Formula
C6H3F2NO
SMILES
C1=C(C(=C(C=N1)F)C=O)F
InChI
InChI=1S/C6H3F2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
InChIKey
RLAOKDGTZKSUJB-UHFFFAOYSA-N
Compound name
3,5-difluoropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

143.01826 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02554 120.3
[M+Na]+ 166.00748 131.3
[M-H]- 142.01098 120.8
[M+NH4]+ 161.05208 140.9
[M+K]+ 181.98142 129.1
[M+H-H2O]+ 126.01552 112.8
[M+HCOO]- 188.01646 142.9
[M+CH3COO]- 202.03211 173.7
[M+Na-2H]- 163.99293 127.7
[M]+ 143.01771 118.8
[M]- 143.01881 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe