CID 245811

2-(2,4-dichlorophenoxy)acetonitrile

Structural Information

Molecular Formula
C8H5Cl2NO
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC#N
InChI
InChI=1S/C8H5Cl2NO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,4H2
InChIKey
QSDMPLNZSJLFRM-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

200.97482 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98210 133.1
[M+Na]+ 223.96404 147.6
[M+NH4]+ 219.00864 139.3
[M+K]+ 239.93798 137.1
[M-H]- 199.96754 128.6
[M+Na-2H]- 221.94949 138.7
[M]+ 200.97427 133.7
[M]- 200.97537 133.7
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