CID 16107287

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

Structural Information

Molecular Formula
C9H3F7N2
SMILES
C1=CN=C(C=C1C#N)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H3F7N2/c10-7(8(11,12)13,9(14,15)16)6-3-5(4-17)1-2-18-6/h1-3H
InChIKey
KRNBLOPHIZILFL-UHFFFAOYSA-N
Compound name
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.01843 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02571 146.8
[M+Na]+ 295.00765 157.1
[M-H]- 271.01115 140.4
[M+NH4]+ 290.05225 159.5
[M+K]+ 310.98159 153.9
[M+H-H2O]+ 255.01569 129.1
[M+HCOO]- 317.01663 155.2
[M+CH3COO]- 331.03228 206.9
[M+Na-2H]- 292.99310 151.6
[M]+ 272.01788 132.3
[M]- 272.01898 132.3
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.