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

444
Patents

143.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 122.5
[M+Na]+ 166.003018 132.9
[M-H]- 142.006524 125.2
[M+NH4]+ 161.047623 143.9
[M+K]+ 181.976958 130.3
[M+H-H2O]+ 126.011060 117.4
[M+HCOO]- 188.012001 142.4
[M+CH3COO]- 202.027651 172.0
[M+Na-2H]- 163.988466 131.4
[M]+ 143.01325142 125.5
[M]- 143.01434858 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