CID 150069139

2-chloro-6-(1,3-dioxolan-2-yl)pyridine

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
C1COC(O1)C2=NC(=CC=C2)Cl
InChI
InChI=1S/C8H8ClNO2/c9-7-3-1-2-6(10-7)8-11-4-5-12-8/h1-3,8H,4-5H2
InChIKey
DOXCKCZMJWLQAP-UHFFFAOYSA-N
Compound name
2-chloro-6-(1,3-dioxolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.02435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 135.4
[M+Na]+ 208.013568 144.2
[M-H]- 184.017074 141.8
[M+NH4]+ 203.058173 153.6
[M+K]+ 223.987508 143.3
[M+H-H2O]+ 168.021610 129.3
[M+HCOO]- 230.022551 152.1
[M+CH3COO]- 244.038201 149.4
[M+Na-2H]- 205.999016 142.2
[M]+ 185.02380142 137.1
[M]- 185.02489858 137.1
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

patents stripe