CID 76208

1,4-cyclohexanebis(methylene chloroformate)

Structural Information

Molecular Formula
C10H14Cl2O4
SMILES
C1CC(CCC1COC(=O)Cl)COC(=O)Cl
InChI
InChI=1S/C10H14Cl2O4/c11-9(13)15-5-7-1-2-8(4-3-7)6-16-10(12)14/h7-8H,1-6H2
InChIKey
BTMCUDBTQUAKQH-UHFFFAOYSA-N
Compound name
[4-(carbonochloridoyloxymethyl)cyclohexyl]methyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

268.02692 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03420 153.4
[M+Na]+ 291.01614 159.5
[M-H]- 267.01964 155.7
[M+NH4]+ 286.06074 171.0
[M+K]+ 306.99008 156.4
[M+H-H2O]+ 251.02418 149.5
[M+HCOO]- 313.02512 163.3
[M+CH3COO]- 327.04077 191.8
[M+Na-2H]- 289.00159 154.2
[M]+ 268.02637 155.9
[M]- 268.02747 155.9
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