CID 16875

2-chlorododecane

Structural Information

Molecular Formula
C12H25Cl
SMILES
CCCCCCCCCCC(C)Cl
InChI
InChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
InChIKey
IRQJPTVOWBXCHM-UHFFFAOYSA-N
Compound name
2-chlorododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

204.16447 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17175 152.5
[M+Na]+ 227.15369 157.9
[M-H]- 203.15719 151.7
[M+NH4]+ 222.19829 172.8
[M+K]+ 243.12763 154.3
[M+H-H2O]+ 187.16173 148.1
[M+HCOO]- 249.16267 168.8
[M+CH3COO]- 263.17832 190.2
[M+Na-2H]- 225.13914 154.7
[M]+ 204.16392 157.2
[M]- 204.16502 157.2
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.