CID 1470930

2-chloro-3-cyano-4-methoxypyridine

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
COC1=C(C(=NC=C1)Cl)C#N
InChI
InChI=1S/C7H5ClN2O/c1-11-6-2-3-10-7(8)5(6)4-9/h2-3H,1H3
InChIKey
MOKUXMQJIYHZCA-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

168.00903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 128.6
[M+Na]+ 190.99825 141.0
[M-H]- 167.00175 130.9
[M+NH4]+ 186.04285 147.0
[M+K]+ 206.97219 137.4
[M+H-H2O]+ 151.00629 116.8
[M+HCOO]- 213.00723 144.9
[M+CH3COO]- 227.02288 189.9
[M+Na-2H]- 188.98370 135.7
[M]+ 168.00848 126.8
[M]- 168.00958 126.8
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