CID 710532

3-(5-(2,5-dichlorophenyl)-2-furyl)-2-phenylacrylonitrile

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/c20-15-6-8-18(21)17(11-15)19-9-7-16(23-19)10-14(12-22)13-4-2-1-3-5-13/h1-11H/b14-10+
InChIKey
VUKUVPXFXORTAL-GXDHUFHOSA-N
Compound name
(Z)-3-[5-(2,5-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 185.0
[M+Na]+ 362.01098 198.0
[M-H]- 338.01448 192.5
[M+NH4]+ 357.05558 198.5
[M+K]+ 377.98492 187.6
[M+H-H2O]+ 322.01902 171.5
[M+HCOO]- 384.01996 195.5
[M+CH3COO]- 398.03561 194.8
[M+Na-2H]- 359.99643 185.0
[M]+ 339.02121 183.7
[M]- 339.02231 183.7
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.