CID 165999332

2-fluoro-4-[1-(trifluoromethyl)cyclopropyl]pyridine

Structural Information

Molecular Formula
C9H7F4N
SMILES
C1CC1(C2=CC(=NC=C2)F)C(F)(F)F
InChI
InChI=1S/C9H7F4N/c10-7-5-6(1-4-14-7)8(2-3-8)9(11,12)13/h1,4-5H,2-3H2
InChIKey
PWLZVNHPDBGYGH-UHFFFAOYSA-N
Compound name
2-fluoro-4-[1-(trifluoromethyl)cyclopropyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05875 135.1
[M+Na]+ 228.04069 146.4
[M-H]- 204.04419 136.8
[M+NH4]+ 223.08529 149.9
[M+K]+ 244.01463 143.1
[M+H-H2O]+ 188.04873 125.5
[M+HCOO]- 250.04967 153.0
[M+CH3COO]- 264.06532 187.2
[M+Na-2H]- 226.02614 142.4
[M]+ 205.05092 132.2
[M]- 205.05202 132.2
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.