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

7
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 130.2
[M+Na]+ 191.99868 141.7
[M-H]- 168.00218 132.5
[M+NH4]+ 187.04328 149.6
[M+K]+ 207.97262 136.9
[M+H-H2O]+ 152.00672 118.6
[M+HCOO]- 214.00766 145.6
[M+CH3COO]- 228.02331 190.7
[M+Na-2H]- 189.98413 135.8
[M]+ 169.00891 125.4
[M]- 169.01001 125.4
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

patents stripe