CID 22347155

330792-68-2

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=C(C#N)C#N)O
InChI
InChI=1S/C16H10N2O2/c17-10-13(11-18)16(19)12-6-8-15(9-7-12)20-14-4-2-1-3-5-14/h1-9,19H
InChIKey
MWTPPIZIKZHMSK-UHFFFAOYSA-N
Compound name
2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

262.07422 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 176.4
[M+Na]+ 285.06344 185.6
[M-H]- 261.06694 179.7
[M+NH4]+ 280.10804 186.2
[M+K]+ 301.03738 179.1
[M+H-H2O]+ 245.07148 160.2
[M+HCOO]- 307.07242 186.9
[M+CH3COO]- 321.08807 221.8
[M+Na-2H]- 283.04889 176.2
[M]+ 262.07367 167.0
[M]- 262.07477 167.0
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