CID 137943170

2-(chloromethyl)-6-(1,1-difluoroethyl)pyridine

Structural Information

Molecular Formula
C8H8ClF2N
SMILES
CC(C1=CC=CC(=N1)CCl)(F)F
InChI
InChI=1S/C8H8ClF2N/c1-8(10,11)7-4-2-3-6(5-9)12-7/h2-4H,5H2,1H3
InChIKey
FDCUXFWSIIOZAG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-(1,1-difluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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-H]- 190.02405 133.8
[M+NH4]+ 209.06515 153.4
[M+K]+ 229.99449 139.9
[M+H-H2O]+ 174.02859 127.0
[M+HCOO]- 236.02953 149.2
[M+CH3COO]- 250.04518 181.8
[M+Na-2H]- 212.00600 141.1
[M]+ 191.03078 133.5
[M]- 191.03188 133.5
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.