CID 67341

Pimeloyl chloride

Structural Information

Molecular Formula
C7H10Cl2O2
SMILES
C(CCC(=O)Cl)CCC(=O)Cl
InChI
InChI=1S/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2
InChIKey
LVIMBOHJGMDKEJ-UHFFFAOYSA-N
Compound name
heptanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1000
Patents

196.00578 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01306 136.9
[M+Na]+ 218.99500 145.1
[M-H]- 194.99850 136.6
[M+NH4]+ 214.03960 157.5
[M+K]+ 234.96894 141.2
[M+H-H2O]+ 179.00304 134.3
[M+HCOO]- 241.00398 149.9
[M+CH3COO]- 255.01963 182.7
[M+Na-2H]- 216.98045 140.1
[M]+ 196.00523 141.5
[M]- 196.00633 141.5
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