CID 7864

Chloromethyl methyl ether

Structural Information

Molecular Formula
C2H5ClO
SMILES
COCCl
InChI
InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
InChIKey
XJUZRXYOEPSWMB-UHFFFAOYSA-N
Compound name
chloro(methoxy)methane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

23
References

32060
Patents

80.00289 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.010166 108.2
[M+Na]+ 102.992108 117.8
[M-H]- 78.995614 109.0
[M+NH4]+ 98.036713 133.3
[M+K]+ 118.966048 117.1
[M+H-H2O]+ 63.000150 105.6
[M+HCOO]- 125.001091 129.0
[M+CH3COO]- 139.016741 161.2
[M+Na-2H]- 100.977556 117.2
[M]+ 80.00234142 111.1
[M]- 80.00343858 111.1
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