CID 109199

Hexanedioyl dichloride, diethyl-

Structural Information

Molecular Formula
C10H16Cl2O2
SMILES
CCC(CC(=O)Cl)C(CC)CC(=O)Cl
InChI
InChI=1S/C10H16Cl2O2/c1-3-7(5-9(11)13)8(4-2)6-10(12)14/h7-8H,3-6H2,1-2H3
InChIKey
PGDRDXPCUAMNCP-UHFFFAOYSA-N
Compound name
3,4-diethylhexanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05273 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06001 150.6
[M+Na]+ 261.04195 160.5
[M+NH4]+ 256.08655 157.5
[M+K]+ 277.01589 155.3
[M-H]- 237.04545 148.7
[M+Na-2H]- 259.02740 152.4
[M]+ 238.05218 151.7
[M]- 238.05328 151.7
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

No patent data available for this compound.