CID 123575

2-chloro-6-fluorophenylacetonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

169.00946 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.016736 128.7
[M+Na]+ 191.998678 141.3
[M-H]- 168.002184 131.2
[M+NH4]+ 187.043283 148.4
[M+K]+ 207.972618 136.2
[M+H-H2O]+ 152.006720 117.3
[M+HCOO]- 214.007661 145.0
[M+CH3COO]- 228.023311 190.9
[M+Na-2H]- 189.984126 134.9
[M]+ 169.00891142 124.8
[M]- 169.01000858 124.8
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