CID 138396388

2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

Structural Information

Molecular Formula
C8H3ClF7N
SMILES
C1=CN=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)Cl
InChI
InChI=1S/C8H3ClF7N/c9-5-3-4(1-2-17-5)6(10,7(11,12)13)8(14,15)16/h1-3H
InChIKey
AQYIGCRIXKCJIK-UHFFFAOYSA-N
Compound name
2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.98422 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.99150 147.3
[M+Na]+ 303.97344 158.5
[M-H]- 279.97694 141.3
[M+NH4]+ 299.01804 162.8
[M+K]+ 319.94738 153.1
[M+H-H2O]+ 263.98148 136.5
[M+HCOO]- 325.98242 154.0
[M+CH3COO]- 339.99807 196.0
[M+Na-2H]- 301.95889 153.0
[M]+ 280.98367 139.2
[M]- 280.98477 139.2
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.