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
2
Annotation Hits

0
References

296
Patents

155.97449 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.981766 124.4
[M+Na]+ 178.963708 133.7
[M-H]- 154.967214 124.4
[M+NH4]+ 174.008313 146.7
[M+K]+ 194.937648 130.9
[M+H-H2O]+ 138.971750 122.2
[M+HCOO]- 200.972691 139.0
[M+CH3COO]- 214.988341 173.9
[M+Na-2H]- 176.949156 130.4
[M]+ 155.97394142 129.1
[M]- 155.97503858 129.1
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