CID 91926956

1816283-20-1

Structural Information

Molecular Formula
C7H3ClF5N
SMILES
C1=CN=C(C=C1Cl)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H3ClF5N/c8-4-1-2-14-5(3-4)6(9,10)7(11,12)13/h1-3H
InChIKey
ASGAWEVNGFJCIS-UHFFFAOYSA-N
Compound name
4-chloro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.98741 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99469 137.0
[M+Na]+ 253.97663 148.1
[M-H]- 229.98013 133.3
[M+NH4]+ 249.02123 154.6
[M+K]+ 269.95057 143.2
[M+H-H2O]+ 213.98467 127.8
[M+HCOO]- 275.98561 147.7
[M+CH3COO]- 290.00126 187.2
[M+Na-2H]- 251.96208 143.6
[M]+ 230.98686 131.8
[M]- 230.98796 131.8
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.