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
2
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 174.3
[M+Na]+ 283.08419 183.9
[M-H]- 259.08769 178.3
[M+NH4]+ 278.12879 184.7
[M+K]+ 299.05813 176.7
[M+H-H2O]+ 243.09223 157.8
[M+HCOO]- 305.09317 186.1
[M+CH3COO]- 319.10882 223.5
[M+Na-2H]- 281.06964 175.0
[M]+ 260.09442 165.9
[M]- 260.09552 165.9
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