CID 2725063

75279-56-0

Structural Information

Molecular Formula
C8H5ClFN
SMILES
C1=CC(=C(C=C1F)Cl)CC#N
InChI
InChI=1S/C8H5ClFN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3H2
InChIKey
GSMCLMKFBYLWRP-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

169.00946 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01674 129.4
[M+Na]+ 191.99868 143.3
[M+NH4]+ 187.04328 135.2
[M+K]+ 207.97262 132.6
[M-H]- 168.00218 123.7
[M+Na-2H]- 189.98413 134.6
[M]+ 169.00891 129.3
[M]- 169.01001 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe