CID 17186

1-chloroundecane

Structural Information

Molecular Formula
C11H23Cl
SMILES
CCCCCCCCCCCCl
InChI
InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey
ZHKKNUKCXPWZOP-UHFFFAOYSA-N
Compound name
1-chloroundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

701
Patents

190.14883 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15611 147.5
[M+Na]+ 213.13805 153.4
[M-H]- 189.14155 146.7
[M+NH4]+ 208.18265 168.3
[M+K]+ 229.11199 149.8
[M+H-H2O]+ 173.14609 143.2
[M+HCOO]- 235.14703 165.1
[M+CH3COO]- 249.16268 186.5
[M+Na-2H]- 211.12350 151.5
[M]+ 190.14828 152.4
[M]- 190.14938 152.4
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