CID 371800

4-phenoxyphthalonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

205
Patents

220.06366 Da
Monoisotopic Mass

2.9
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