CID 8166

Lauroyl chloride

Structural Information

Molecular Formula
C12H23ClO
SMILES
CCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
InChIKey
NQGIJDNPUZEBRU-UHFFFAOYSA-N
Compound name
dodecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

9443
Patents

218.14374 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15102 154.0
[M+Na]+ 241.13296 159.7
[M-H]- 217.13646 153.2
[M+NH4]+ 236.17756 173.6
[M+K]+ 257.10690 155.9
[M+H-H2O]+ 201.14100 149.5
[M+HCOO]- 263.14194 170.8
[M+CH3COO]- 277.15759 191.1
[M+Na-2H]- 239.11841 156.2
[M]+ 218.14319 159.5
[M]- 218.14429 159.5
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.