CID 10559058

2-(4-chlorophenyl)-2-fluoroacetonitrile

Structural Information

Molecular Formula
C8H5ClFN
SMILES
C1=CC(=CC=C1C(C#N)F)Cl
InChI
InChI=1S/C8H5ClFN/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H
InChIKey
SJLJLKAHRVQJOR-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-fluoroacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

169.00946 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01674 130.5
[M+Na]+ 191.99868 143.8
[M+NH4]+ 187.04328 136.2
[M+K]+ 207.97262 133.5
[M-H]- 168.00218 124.6
[M+Na-2H]- 189.98413 135.5
[M]+ 169.00891 130.2
[M]- 169.01001 130.2
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