CID 18070291

2-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}acetonitrile

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C1=CC(=CC=C1CC#N)OCC2=CN=C(C=C2)Cl
InChI
InChI=1S/C14H11ClN2O/c15-14-6-3-12(9-17-14)10-18-13-4-1-11(2-5-13)7-8-16/h1-6,9H,7,10H2
InChIKey
KCGMQQGHYXNYJX-UHFFFAOYSA-N
Compound name
2-[4-[(6-chloropyridin-3-yl)methoxy]phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 156.8
[M+Na]+ 281.04522 172.2
[M+NH4]+ 276.08982 162.3
[M+K]+ 297.01916 160.3
[M-H]- 257.04872 153.8
[M+Na-2H]- 279.03067 163.8
[M]+ 258.05545 157.8
[M]- 258.05655 157.8
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.