CID 54775538

2-chloro-5-(1,3-dioxolan-2-yl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

185.02435 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 135.4
[M+Na]+ 208.01357 144.2
[M-H]- 184.01707 141.8
[M+NH4]+ 203.05817 153.6
[M+K]+ 223.98751 143.3
[M+H-H2O]+ 168.02161 129.3
[M+HCOO]- 230.02255 152.1
[M+CH3COO]- 244.03820 149.4
[M+Na-2H]- 205.99902 142.2
[M]+ 185.02380 137.1
[M]- 185.02490 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

No patent data available for this compound.