CID 64272147

5-(4-chloro-3-ethylphenoxy)pyrazine-2-carbonitrile

Structural Information

Molecular Formula
C13H10ClN3O
SMILES
CCC1=C(C=CC(=C1)OC2=NC=C(N=C2)C#N)Cl
InChI
InChI=1S/C13H10ClN3O/c1-2-9-5-11(3-4-12(9)14)18-13-8-16-10(6-15)7-17-13/h3-5,7-8H,2H2,1H3
InChIKey
SZHAXDZXCAXPJB-UHFFFAOYSA-N
Compound name
5-(4-chloro-3-ethylphenoxy)pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05124 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05852 154.5
[M+Na]+ 282.04046 166.5
[M-H]- 258.04396 157.0
[M+NH4]+ 277.08506 167.7
[M+K]+ 298.01440 160.1
[M+H-H2O]+ 242.04850 139.5
[M+HCOO]- 304.04944 168.6
[M+CH3COO]- 318.06509 165.2
[M+Na-2H]- 280.02591 159.7
[M]+ 259.05069 152.8
[M]- 259.05179 152.8
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.