CID 111428

2-chlorodecanoyl chloride

Structural Information

Molecular Formula
C10H18Cl2O
SMILES
CCCCCCCCC(C(=O)Cl)Cl
InChI
InChI=1S/C10H18Cl2O/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3
InChIKey
CWXQUGMWCNUPTL-UHFFFAOYSA-N
Compound name
2-chlorodecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.07347 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.080746 149.8
[M+Na]+ 247.062688 156.4
[M-H]- 223.066194 148.9
[M+NH4]+ 242.107293 169.4
[M+K]+ 263.036628 151.9
[M+H-H2O]+ 207.070730 146.6
[M+HCOO]- 269.071671 161.3
[M+CH3COO]- 283.087321 190.5
[M+Na-2H]- 245.048136 151.2
[M]+ 224.07292142 154.7
[M]- 224.07401858 154.7
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

patents stripe