CID 8147

Bis(2-chloroethoxy)methane

Structural Information

Molecular Formula
C5H10Cl2O2
SMILES
C(CCl)OCOCCCl
InChI
InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
InChIKey
NLXGURFLBLRZRO-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethoxymethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

19
References

6537
Patents

172.00578 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.013056 130.4
[M+Na]+ 194.994998 139.1
[M-H]- 170.998504 130.0
[M+NH4]+ 190.039603 152.1
[M+K]+ 210.968938 136.2
[M+H-H2O]+ 155.003040 127.7
[M+HCOO]- 217.003981 145.4
[M+CH3COO]- 231.019631 177.0
[M+Na-2H]- 192.980446 136.9
[M]+ 172.00523142 136.6
[M]- 172.00632858 136.6
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