CID 81320

2,2-dimethylpropane-1,3-diyl bis(chloroformate)

Structural Information

Molecular Formula
C7H10Cl2O4
SMILES
CC(C)(COC(=O)Cl)COC(=O)Cl
InChI
InChI=1S/C7H10Cl2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
InChIKey
ROPHHOGKCLJYID-UHFFFAOYSA-N
Compound name
(3-carbonochloridoyloxy-2,2-dimethylpropyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

227.99562 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.002896 141.0
[M+Na]+ 250.984838 149.7
[M-H]- 226.988344 141.4
[M+NH4]+ 246.029443 160.6
[M+K]+ 266.958778 147.4
[M+H-H2O]+ 210.992880 138.8
[M+HCOO]- 272.993821 153.2
[M+CH3COO]- 287.009471 185.5
[M+Na-2H]- 248.970286 145.3
[M]+ 227.99507142 148.0
[M]- 227.99616858 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe