CID 69887

(2,4-dichlorophenoxy)acetyl chloride

Structural Information

Molecular Formula
C8H5Cl3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)Cl
InChI
InChI=1S/C8H5Cl3O2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2
InChIKey
FUJSJWRORKKPAI-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1631
Patents

237.93552 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.942796 140.2
[M+Na]+ 260.924738 150.9
[M-H]- 236.928244 142.7
[M+NH4]+ 255.969343 159.5
[M+K]+ 276.898678 145.8
[M+H-H2O]+ 220.932780 137.5
[M+HCOO]- 282.933721 149.7
[M+CH3COO]- 296.949371 188.7
[M+Na-2H]- 258.910186 144.3
[M]+ 237.93497142 145.1
[M]- 237.93606858 145.1
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