CID 18523

Chloromethyl ethyl ether

Structural Information

Molecular Formula
C3H7ClO
SMILES
CCOCCl
InChI
InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3
InChIKey
FCYRSDMGOLYDHL-UHFFFAOYSA-N
Compound name
chloromethoxyethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

6711
Patents

94.01854 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.025816 113.0
[M+Na]+ 117.007758 122.2
[M-H]- 93.011264 113.6
[M+NH4]+ 112.052363 137.5
[M+K]+ 132.981698 121.2
[M+H-H2O]+ 77.015800 110.2
[M+HCOO]- 139.016741 133.4
[M+CH3COO]- 153.032391 164.2
[M+Na-2H]- 114.993206 121.4
[M]+ 94.01799142 116.3
[M]- 94.01908858 116.3
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