CID 75406324

1204235-23-3

Structural Information

Molecular Formula
C8H4F5NO2
SMILES
C1=C(C=NC=C1C(C(F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H4F5NO2/c9-7(10,8(11,12)13)5-1-4(6(15)16)2-14-3-5/h1-3H,(H,15,16)
InChIKey
FFALAWAHLYRURL-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01622 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02350 142.6
[M+Na]+ 264.00544 152.0
[M-H]- 240.00894 137.6
[M+NH4]+ 259.05004 157.9
[M+K]+ 279.97938 148.9
[M+H-H2O]+ 224.01348 132.9
[M+HCOO]- 286.01442 155.7
[M+CH3COO]- 300.03007 187.6
[M+Na-2H]- 261.99089 147.5
[M]+ 241.01567 135.4
[M]- 241.01677 135.4
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

No patent data available for this compound.