CID 21004

Dichloromethyl methyl ether

Structural Information

Molecular Formula
C2H4Cl2O
SMILES
COC(Cl)Cl
InChI
InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3
InChIKey
GRTGGSXWHGKRSB-UHFFFAOYSA-N
Compound name
dichloro(methoxy)methane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6499
Patents

113.96392 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.971196 113.8
[M+Na]+ 136.953138 123.5
[M-H]- 112.956644 114.0
[M+NH4]+ 131.997743 137.7
[M+K]+ 152.927078 121.4
[M+H-H2O]+ 96.961180 112.0
[M+HCOO]- 158.962121 128.5
[M+CH3COO]- 172.977771 167.1
[M+Na-2H]- 134.938586 120.8
[M]+ 113.96337142 116.8
[M]- 113.96446858 116.8
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