CID 534653

Suberoyl chloride

Structural Information

Molecular Formula
C8H12Cl2O2
SMILES
C(CCCC(=O)Cl)CCC(=O)Cl
InChI
InChI=1S/C8H12Cl2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-6H2
InChIKey
PUIBKAHUQOOLSW-UHFFFAOYSA-N
Compound name
octanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2044
Patents

210.02144 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02872 141.6
[M+Na]+ 233.01066 149.4
[M-H]- 209.01416 141.1
[M+NH4]+ 228.05526 161.7
[M+K]+ 248.98460 145.3
[M+H-H2O]+ 193.01870 138.8
[M+HCOO]- 255.01964 154.3
[M+CH3COO]- 269.03529 185.6
[M+Na-2H]- 230.99611 144.2
[M]+ 210.02089 146.6
[M]- 210.02199 146.6
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