CID 145874689

2-(chloromethyl)-5-(1,1-difluoroethyl)pyridine

Structural Information

Molecular Formula
C8H8ClF2N
SMILES
CC(C1=CN=C(C=C1)CCl)(F)F
InChI
InChI=1S/C8H8ClF2N/c1-8(10,11)6-2-3-7(4-9)12-5-6/h2-3,5H,4H2,1H3
InChIKey
UMICZMUXQUEAMH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(1,1-difluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

191.03133 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03861 134.0
[M+Na]+ 214.02055 144.1
[M+NH4]+ 209.06515 133.8
[M+K]+ 229.99449 153.4
[M-H]- 190.02405 139.9
[M+Na-2H]- 212.00600 127.0
[M]+ 191.03078 149.2
[M]- 191.03188 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.