CID 64271739

5-phenoxypyrazine-2-carbonitrile

Structural Information

Molecular Formula
C11H7N3O
SMILES
C1=CC=C(C=C1)OC2=NC=C(N=C2)C#N
InChI
InChI=1S/C11H7N3O/c12-6-9-7-14-11(8-13-9)15-10-4-2-1-3-5-10/h1-5,7-8H
InChIKey
UDPWXHWLSYTFRP-UHFFFAOYSA-N
Compound name
5-phenoxypyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05891 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06619 140.9
[M+Na]+ 220.04813 151.3
[M-H]- 196.05163 143.3
[M+NH4]+ 215.09273 155.0
[M+K]+ 236.02207 146.8
[M+H-H2O]+ 180.05617 125.4
[M+HCOO]- 242.05711 159.7
[M+CH3COO]- 256.07276 152.1
[M+Na-2H]- 218.03358 148.9
[M]+ 197.05836 136.0
[M]- 197.05946 136.0
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.