CID 853684

4-(dimethylamino)-2,3,5,6-tetrafluoropyridine

Structural Information

Molecular Formula
C7H6F4N2
SMILES
CN(C)C1=C(C(=NC(=C1F)F)F)F
InChI
InChI=1S/C7H6F4N2/c1-13(2)5-3(8)6(10)12-7(11)4(5)9/h1-2H3
InChIKey
UAGGKULAFQBSPP-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-N,N-dimethylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

194.0467 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.053976 132.6
[M+Na]+ 217.035918 144.1
[M-H]- 193.039424 132.3
[M+NH4]+ 212.080523 151.9
[M+K]+ 233.009858 142.1
[M+H-H2O]+ 177.043960 122.9
[M+HCOO]- 239.044901 153.6
[M+CH3COO]- 253.060551 192.0
[M+Na-2H]- 215.021366 136.2
[M]+ 194.04615142 129.5
[M]- 194.04724858 129.5
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