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 149.6
[M+Na]+ 261.04195 156.2
[M-H]- 237.04545 149.1
[M+NH4]+ 256.08655 168.5
[M+K]+ 277.01589 152.4
[M+H-H2O]+ 221.04999 146.8
[M+HCOO]- 283.05093 159.8
[M+CH3COO]- 297.06658 193.2
[M+Na-2H]- 259.02740 148.9
[M]+ 238.05218 154.3
[M]- 238.05328 154.3
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.