CID 1249786

5-(2-chlorophenyl)furan-2-carbonitrile

Structural Information

Molecular Formula
C11H6ClNO
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C#N)Cl
InChI
InChI=1S/C11H6ClNO/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-6H
InChIKey
MVNPHQBMFULQMI-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0138 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02108 140.5
[M+Na]+ 226.00302 155.3
[M+NH4]+ 221.04762 146.8
[M+K]+ 241.97696 146.2
[M-H]- 202.00652 138.6
[M+Na-2H]- 223.98847 146.6
[M]+ 203.01325 141.7
[M]- 203.01435 141.7
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

patents stripe