CID 72212882

4-chloro-6-fluoropyridin-3-ol

Structural Information

Molecular Formula
C5H3ClFNO
SMILES
C1=C(C(=CN=C1F)O)Cl
InChI
InChI=1S/C5H3ClFNO/c6-3-1-5(7)8-2-4(3)9/h1-2,9H
InChIKey
RPUUREIWUNWQQC-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.98872 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.995996 120.2
[M+Na]+ 169.977938 131.6
[M-H]- 145.981444 120.6
[M+NH4]+ 165.022543 140.9
[M+K]+ 185.951878 127.8
[M+H-H2O]+ 129.985980 114.8
[M+HCOO]- 191.986921 137.9
[M+CH3COO]- 206.002571 170.1
[M+Na-2H]- 167.963386 127.8
[M]+ 146.98817142 120.2
[M]- 146.98926858 120.2
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.