CID 6538287

Difunon

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CN(C)/C=C\1/C(=C(C(=O)O1)C#N)C2=CC=CC=C2
InChI
InChI=1S/C14H12N2O2/c1-16(2)9-12-13(10-6-4-3-5-7-10)11(8-15)14(17)18-12/h3-7,9H,1-2H3/b12-9-
InChIKey
GWZYSXKZOOVIDP-XFXZXTDPSA-N
Compound name
(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

240.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 156.6
[M+Na]+ 263.079088 167.1
[M-H]- 239.082594 164.1
[M+NH4]+ 258.123693 173.1
[M+K]+ 279.053028 163.6
[M+H-H2O]+ 223.087130 142.9
[M+HCOO]- 285.088071 177.7
[M+CH3COO]- 299.103721 207.6
[M+Na-2H]- 261.064536 159.0
[M]+ 240.08932142 153.2
[M]- 240.09041858 153.2
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