CID 104252

2-chloro-3-methoxypyridine

Structural Information

Molecular Formula
C6H6ClNO
SMILES
COC1=C(N=CC=C1)Cl
InChI
InChI=1S/C6H6ClNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey
CCVNZKGBNUPYPG-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

422
Patents

143.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 122.5
[M+Na]+ 166.00302 132.9
[M-H]- 142.00652 125.2
[M+NH4]+ 161.04762 143.9
[M+K]+ 181.97696 130.3
[M+H-H2O]+ 126.01106 117.4
[M+HCOO]- 188.01200 142.4
[M+CH3COO]- 202.02765 172.0
[M+Na-2H]- 163.98847 131.4
[M]+ 143.01325 125.5
[M]- 143.01435 125.5
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