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]+ 170.016736 130.2
[M+Na]+ 191.998678 141.7
[M-H]- 168.002184 132.5
[M+NH4]+ 187.043283 149.6
[M+K]+ 207.972618 136.9
[M+H-H2O]+ 152.006720 118.6
[M+HCOO]- 214.007661 145.6
[M+CH3COO]- 228.023311 190.7
[M+Na-2H]- 189.984126 135.8
[M]+ 169.00891142 125.4
[M]- 169.01000858 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