CID 33804

Malononitrile, (p-(benzyloxy)benzylidene)-

Structural Information

Molecular Formula
C17H12N2O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C#N
InChI
InChI=1S/C17H12N2O/c18-11-16(12-19)10-14-6-8-17(9-7-14)20-13-15-4-2-1-3-5-15/h1-10H,13H2
InChIKey
GBQGNEMSQIQFRK-UHFFFAOYSA-N
Compound name
2-[(4-phenylmethoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.09497 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10225 185.3
[M+Na]+ 283.08419 195.1
[M+NH4]+ 278.12879 186.0
[M+K]+ 299.05813 182.8
[M-H]- 259.08769 176.9
[M+Na-2H]- 281.06964 185.9
[M]+ 260.09442 183.1
[M]- 260.09552 183.1
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

patents stripe