CID 947177

5-(3,4-dichlorophenyl)-2-furonitrile

Structural Information

Molecular Formula
C11H5Cl2NO
SMILES
C1=CC(=C(C=C1C2=CC=C(O2)C#N)Cl)Cl
InChI
InChI=1S/C11H5Cl2NO/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-5H
InChIKey
LLXJJYJKCUDNAV-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97482 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98210 150.9
[M+Na]+ 259.96404 165.3
[M-H]- 235.96754 156.9
[M+NH4]+ 255.00864 168.8
[M+K]+ 275.93798 158.2
[M+H-H2O]+ 219.97208 139.6
[M+HCOO]- 281.97302 163.6
[M+CH3COO]- 295.98867 163.5
[M+Na-2H]- 257.94949 154.8
[M]+ 236.97427 150.4
[M]- 236.97537 150.4
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.