CID 1556695

304896-40-0

Structural Information

Molecular Formula
C19H11Cl2NO
SMILES
C1=CC=C(C=C1)/C(=C\C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)/C#N
InChI
InChI=1S/C19H11Cl2NO/c20-17-8-4-7-16(19(17)21)18-10-9-15(23-18)11-14(12-22)13-5-2-1-3-6-13/h1-11H/b14-11-
InChIKey
OXJUNMCQCLHMFL-KAMYIIQDSA-N
Compound name
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.02176 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.02904 176.6
[M+Na]+ 362.01098 192.9
[M+NH4]+ 357.05558 182.4
[M+K]+ 377.98492 181.6
[M-H]- 338.01448 176.5
[M+Na-2H]- 359.99643 183.3
[M]+ 339.02121 178.9
[M]- 339.02231 178.9
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

No patent data available for this compound.