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

85
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

literature stripe

Patent stripe

patents stripe