CID 10967

Bis(chloromethyl) ether

Structural Information

Molecular Formula
C2H4Cl2O
SMILES
C(OCCl)Cl
InChI
InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2
InChIKey
HRQGCQVOJVTVLU-UHFFFAOYSA-N
Compound name
chloro(chloromethoxy)methane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

83
References

8947
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 114.0
[M+Na]+ 136.953138 123.9
[M-H]- 112.956644 114.0
[M+NH4]+ 131.997743 137.9
[M+K]+ 152.927078 121.4
[M+H-H2O]+ 96.961180 112.1
[M+HCOO]- 158.962121 129.6
[M+CH3COO]- 172.977771 166.3
[M+Na-2H]- 134.938586 122.1
[M]+ 113.96337142 117.6
[M]- 113.96446858 117.6
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