CID 45361765

6-chloro-2,3-dimethoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.02435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03163 129.7
[M+Na]+ 196.01357 140.5
[M-H]- 172.01707 132.6
[M+NH4]+ 191.05817 150.1
[M+K]+ 211.98751 138.2
[M+H-H2O]+ 156.02161 124.4
[M+HCOO]- 218.02255 149.5
[M+CH3COO]- 232.03820 178.1
[M+Na-2H]- 193.99902 137.3
[M]+ 173.02380 134.9
[M]- 173.02490 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