CID 19048420

2-(2-chloroethoxy)acetyl chloride

Structural Information

Molecular Formula
C4H6Cl2O2
SMILES
C(CCl)OCC(=O)Cl
InChI
InChI=1S/C4H6Cl2O2/c5-1-2-8-3-4(6)7/h1-3H2
InChIKey
RTSGMUHVJLAAAU-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

155.97449 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98177 124.3
[M+Na]+ 178.96371 136.2
[M+NH4]+ 174.00831 132.7
[M+K]+ 194.93765 130.2
[M-H]- 154.96721 123.4
[M+Na-2H]- 176.94916 128.9
[M]+ 155.97394 126.1
[M]- 155.97504 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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