CID 86963

Carbonochloridic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester

Structural Information

Molecular Formula
C8H12Cl2O6
SMILES
C(COCCOC(=O)Cl)OCCOC(=O)Cl
InChI
InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2
InChIKey
IFOIGJKHVZBFPR-UHFFFAOYSA-N
Compound name
2-[2-(2-carbonochloridoyloxyethoxy)ethoxy]ethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

488
Patents

274.0011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00838 149.4
[M+Na]+ 296.99032 157.1
[M-H]- 272.99382 149.2
[M+NH4]+ 292.03492 167.0
[M+K]+ 312.96426 155.2
[M+H-H2O]+ 256.99836 146.1
[M+HCOO]- 318.99930 163.3
[M+CH3COO]- 333.01495 192.1
[M+Na-2H]- 294.97577 152.7
[M]+ 274.00055 160.2
[M]- 274.00165 160.2
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