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 156.4
[M+Na]+ 281.04522 167.8
[M-H]- 257.04872 160.2
[M+NH4]+ 276.08982 171.0
[M+K]+ 297.01916 160.8
[M+H-H2O]+ 241.05326 142.3
[M+HCOO]- 303.05420 171.7
[M+CH3COO]- 317.06985 204.7
[M+Na-2H]- 279.03067 161.9
[M]+ 258.05545 154.5
[M]- 258.05655 154.5
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.