CID 165805152

3-(2-chloroethyl)-2-fluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03238 126.3
[M+Na]+ 182.01432 136.3
[M-H]- 158.01782 127.3
[M+NH4]+ 177.05892 147.0
[M+K]+ 197.98826 132.5
[M+H-H2O]+ 142.02236 120.1
[M+HCOO]- 204.02330 144.5
[M+CH3COO]- 218.03895 175.7
[M+Na-2H]- 179.99977 134.1
[M]+ 159.02455 127.1
[M]- 159.02565 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.