CID 170917282

2-(2-chloroethyl)-6-fluoropyridine

Structural Information

Molecular Formula
C7H7ClFN
SMILES
C1=CC(=NC(=C1)F)CCCl
InChI
InChI=1S/C7H7ClFN/c8-5-4-6-2-1-3-7(9)10-6/h1-3H,4-5H2
InChIKey
YCQIARQARKVSCI-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)-6-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.032376 126.3
[M+Na]+ 182.014318 136.3
[M-H]- 158.017824 127.3
[M+NH4]+ 177.058923 147.0
[M+K]+ 197.988258 132.5
[M+H-H2O]+ 142.022360 120.1
[M+HCOO]- 204.023301 144.5
[M+CH3COO]- 218.038951 175.7
[M+Na-2H]- 179.999766 134.1
[M]+ 159.02455142 127.1
[M]- 159.02564858 127.1
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.