CID 13873112

2-chloro-3,4-dimethoxypyridine

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
COC1=C(C(=NC=C1)Cl)OC
InChI
InChI=1S/C7H8ClNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3
InChIKey
USSXRSGDCHLUDK-UHFFFAOYSA-N
Compound name
2-chloro-3,4-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

173.02435 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.031626 129.7
[M+Na]+ 196.013568 140.5
[M-H]- 172.017074 132.6
[M+NH4]+ 191.058173 150.1
[M+K]+ 211.987508 138.2
[M+H-H2O]+ 156.021610 124.4
[M+HCOO]- 218.022551 149.5
[M+CH3COO]- 232.038201 178.1
[M+Na-2H]- 193.999016 137.3
[M]+ 173.02380142 134.9
[M]- 173.02489858 134.9
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