CID 146049174

2-(chloromethyl)-5-(pentafluoroethoxy)pyridine

Structural Information

Molecular Formula
C8H5ClF5NO
SMILES
C1=CC(=NC=C1OC(C(F)(F)F)(F)F)CCl
InChI
InChI=1S/C8H5ClF5NO/c9-3-5-1-2-6(4-15-5)16-8(13,14)7(10,11)12/h1-2,4H,3H2
InChIKey
BHWFAMSMUWMDAH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.998 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00528 144.9
[M+Na]+ 283.98722 155.5
[M-H]- 259.99072 141.0
[M+NH4]+ 279.03182 161.2
[M+K]+ 299.96116 150.9
[M+H-H2O]+ 243.99526 135.3
[M+HCOO]- 305.99620 155.6
[M+CH3COO]- 320.01185 192.1
[M+Na-2H]- 281.97267 151.0
[M]+ 260.99745 141.5
[M]- 260.99855 141.5
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.