CID 3454979

3-chloro-4-fluoropyridine

Structural Information

Molecular Formula
C5H3ClFN
SMILES
C1=CN=CC(=C1F)Cl
InChI
InChI=1S/C5H3ClFN/c6-4-3-8-2-1-5(4)7/h1-3H
InChIKey
UKQHXVNMBBOXMF-UHFFFAOYSA-N
Compound name
3-chloro-4-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

130.9938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.00108 116.8
[M+Na]+ 153.98302 127.7
[M-H]- 129.98652 118.1
[M+NH4]+ 149.02762 138.6
[M+K]+ 169.95696 124.4
[M+H-H2O]+ 113.99106 111.0
[M+HCOO]- 175.99200 135.7
[M+CH3COO]- 190.00765 169.7
[M+Na-2H]- 151.96847 125.7
[M]+ 130.99325 116.9
[M]- 130.99435 116.9
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

patents stripe