CID 12175815

2,4,5-trifluoropyridine

Structural Information

Molecular Formula
C5H2F3N
SMILES
C1=C(C(=CN=C1F)F)F
InChI
InChI=1S/C5H2F3N/c6-3-1-5(8)9-2-4(3)7/h1-2H
InChIKey
SNSQDAAIMIVWAR-UHFFFAOYSA-N
Compound name
2,4,5-trifluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

133.01393 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.021206 116.3
[M+Na]+ 156.003148 127.5
[M-H]- 132.006654 115.6
[M+NH4]+ 151.047753 137.3
[M+K]+ 171.977088 125.3
[M+H-H2O]+ 116.011190 108.2
[M+HCOO]- 178.012131 137.7
[M+CH3COO]- 192.027781 172.5
[M+Na-2H]- 153.988596 123.7
[M]+ 133.01338142 112.6
[M]- 133.01447858 112.6
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