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

9491
Patents

218.14374 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.151016 154.0
[M+Na]+ 241.132958 159.7
[M-H]- 217.136464 153.2
[M+NH4]+ 236.177563 173.6
[M+K]+ 257.106898 155.9
[M+H-H2O]+ 201.141000 149.5
[M+HCOO]- 263.141941 170.8
[M+CH3COO]- 277.157591 191.1
[M+Na-2H]- 239.118406 156.2
[M]+ 218.14319142 159.5
[M]- 218.14428858 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

literature stripe

Patent stripe

patents stripe