CID 76207

Hexamethylene bis(chloroformate)

Structural Information

Molecular Formula
C8H12Cl2O4
SMILES
C(CCCOC(=O)Cl)CCOC(=O)Cl
InChI
InChI=1S/C8H12Cl2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1-6H2
InChIKey
SLYNWPBNJOHZEQ-UHFFFAOYSA-N
Compound name
6-carbonochloridoyloxyhexyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

242.01126 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01854 146.2
[M+Na]+ 265.00048 154.1
[M-H]- 241.00398 145.9
[M+NH4]+ 260.04508 165.1
[M+K]+ 280.97442 151.0
[M+H-H2O]+ 225.00852 143.2
[M+HCOO]- 287.00946 159.5
[M+CH3COO]- 301.02511 188.1
[M+Na-2H]- 262.98593 149.1
[M]+ 242.01071 154.0
[M]- 242.01181 154.0
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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