CID 132353759

2-chloro-5-(2-ethoxy-1,1,2,2-tetrafluoroethyl)pyridine

Structural Information

Molecular Formula
C9H8ClF4NO
SMILES
CCOC(C(C1=CN=C(C=C1)Cl)(F)F)(F)F
InChI
InChI=1S/C9H8ClF4NO/c1-2-16-9(13,14)8(11,12)6-3-4-7(10)15-5-6/h3-5H,2H2,1H3
InChIKey
RBGHLLYJIGJKET-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-ethoxy-1,1,2,2-tetrafluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03032 147.0
[M+Na]+ 280.01226 157.1
[M-H]- 256.01576 144.3
[M+NH4]+ 275.05686 163.5
[M+K]+ 295.98620 152.6
[M+H-H2O]+ 240.02030 138.1
[M+HCOO]- 302.02124 158.4
[M+CH3COO]- 316.03689 192.9
[M+Na-2H]- 277.99771 153.2
[M]+ 257.02249 145.3
[M]- 257.02359 145.3
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.