CID 16740235

353259-11-7

Structural Information

Molecular Formula
C11H6ClN3O
SMILES
C1=CC(=CC(=C1)OC2=NC(=NC=C2)Cl)C#N
InChI
InChI=1S/C11H6ClN3O/c12-11-14-5-4-10(15-11)16-9-3-1-2-8(6-9)7-13/h1-6H
InChIKey
OOZDEYYWBGQNOC-UHFFFAOYSA-N
Compound name
3-(2-chloropyrimidin-4-yl)oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02722 146.4
[M+Na]+ 254.00916 158.5
[M-H]- 230.01266 148.9
[M+NH4]+ 249.05376 160.4
[M+K]+ 269.98310 152.4
[M+H-H2O]+ 214.01720 131.6
[M+HCOO]- 276.01814 161.1
[M+CH3COO]- 290.03379 157.6
[M+Na-2H]- 251.99461 153.3
[M]+ 231.01939 143.7
[M]- 231.02049 143.7
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.