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

3
Patents

224.07347 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08075 149.8
[M+Na]+ 247.06269 156.4
[M-H]- 223.06619 148.9
[M+NH4]+ 242.10729 169.4
[M+K]+ 263.03663 151.9
[M+H-H2O]+ 207.07073 146.6
[M+HCOO]- 269.07167 161.3
[M+CH3COO]- 283.08732 190.5
[M+Na-2H]- 245.04814 151.2
[M]+ 224.07292 154.7
[M]- 224.07402 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