CID 17941270

4-ethyl-3-fluoropyridine

Structural Information

Molecular Formula
C7H8FN
SMILES
CCC1=C(C=NC=C1)F
InChI
InChI=1S/C7H8FN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3
InChIKey
XYQUZSHKFDJKBF-UHFFFAOYSA-N
Compound name
4-ethyl-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

125.06408 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07136 120.8
[M+Na]+ 148.05330 130.1
[M-H]- 124.05680 122.2
[M+NH4]+ 143.09790 142.1
[M+K]+ 164.02724 128.3
[M+H-H2O]+ 108.06134 114.1
[M+HCOO]- 170.06228 143.7
[M+CH3COO]- 184.07793 171.8
[M+Na-2H]- 146.03875 129.1
[M]+ 125.06353 119.8
[M]- 125.06463 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe