CID 7828

Oxydiethylene bis(chloroformate)

Structural Information

Molecular Formula
C6H8Cl2O5
SMILES
C(COC(=O)Cl)OCCOC(=O)Cl
InChI
InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2
InChIKey
XFSAZBKSWGOXRH-UHFFFAOYSA-N
Compound name
2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

772
Patents

229.97488 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98216 138.6
[M+Na]+ 252.96410 147.2
[M-H]- 228.96760 138.7
[M+NH4]+ 248.00870 157.9
[M+K]+ 268.93804 145.2
[M+H-H2O]+ 212.97214 135.8
[M+HCOO]- 274.97308 152.8
[M+CH3COO]- 288.98873 184.3
[M+Na-2H]- 250.94955 142.7
[M]+ 229.97433 147.1
[M]- 229.97543 147.1
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

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