CID 71758145

2-(6-chloro-3-methoxypyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
COC1=C(N=C(C=C1)Cl)CC#N
InChI
InChI=1S/C8H7ClN2O/c1-12-7-2-3-8(9)11-6(7)4-5-10/h2-3H,4H2,1H3
InChIKey
USWFOQPAIRSGAF-UHFFFAOYSA-N
Compound name
2-(6-chloro-3-methoxy-2-pyridinyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 132.6
[M+Na]+ 205.013908 144.7
[M-H]- 181.017414 134.8
[M+NH4]+ 200.058513 150.5
[M+K]+ 220.987848 140.8
[M+H-H2O]+ 165.021950 120.6
[M+HCOO]- 227.022891 148.6
[M+CH3COO]- 241.038541 192.6
[M+Na-2H]- 202.999356 139.2
[M]+ 182.02414142 131.2
[M]- 182.02523858 131.2
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

No patent data available for this compound.