CID 21698004

1227588-39-7

Structural Information

Molecular Formula
C6H3F2NO
SMILES
C1=C(C=C(N=C1F)F)C=O
InChI
InChI=1S/C6H3F2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
InChIKey
HXBKISUCDUBQIF-UHFFFAOYSA-N
Compound name
2,6-difluoropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

143.01826 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe