CID 77771

P-chlorophenoxyacetyl chloride

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
C1=CC(=CC=C1OCC(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2
InChIKey
VRBVHQUSAOKVDH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

892
Patents

203.97449 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98177 135.0
[M+Na]+ 226.96371 144.9
[M-H]- 202.96721 138.3
[M+NH4]+ 222.00831 155.4
[M+K]+ 242.93765 140.6
[M+H-H2O]+ 186.97175 131.3
[M+HCOO]- 248.97269 149.9
[M+CH3COO]- 262.98834 182.1
[M+Na-2H]- 224.94916 140.8
[M]+ 203.97394 139.5
[M]- 203.97504 139.5
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

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