CID 947177

57666-68-9

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]+ 237.982096 150.9
[M+Na]+ 259.964038 165.3
[M-H]- 235.967544 156.9
[M+NH4]+ 255.008643 168.8
[M+K]+ 275.937978 158.2
[M+H-H2O]+ 219.972080 139.6
[M+HCOO]- 281.973021 163.6
[M+CH3COO]- 295.988671 163.5
[M+Na-2H]- 257.949486 154.8
[M]+ 236.97427142 150.4
[M]- 236.97536858 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.