CID 81004

Benzonitrile, 4,4'-oxybis-

Structural Information

Molecular Formula
C14H8N2O
SMILES
C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H8N2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H
InChIKey
RSAUOQFEFINEDM-UHFFFAOYSA-N
Compound name
4-(4-cyanophenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

404
Patents

220.06366 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07094 162.8
[M+Na]+ 243.05288 173.7
[M-H]- 219.05638 167.4
[M+NH4]+ 238.09748 174.6
[M+K]+ 259.02682 167.4
[M+H-H2O]+ 203.06092 146.9
[M+HCOO]- 265.06186 175.9
[M+CH3COO]- 279.07751 170.3
[M+Na-2H]- 241.03833 165.2
[M]+ 220.06311 155.0
[M]- 220.06421 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe