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]+ 134.02121 116.3
[M+Na]+ 156.00315 127.5
[M-H]- 132.00665 115.6
[M+NH4]+ 151.04775 137.3
[M+K]+ 171.97709 125.3
[M+H-H2O]+ 116.01119 108.2
[M+HCOO]- 178.01213 137.7
[M+CH3COO]- 192.02778 172.5
[M+Na-2H]- 153.98860 123.7
[M]+ 133.01338 112.6
[M]- 133.01448 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