CID 13193

1-chlorotridecane

Structural Information

Molecular Formula
C13H27Cl
SMILES
CCCCCCCCCCCCCCl
InChI
InChI=1S/C13H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKey
ASZMYJSJEOGSBR-UHFFFAOYSA-N
Compound name
1-chlorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

231
Patents

218.18013 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18741 154.1
[M+Na]+ 241.16935 165.1
[M+NH4]+ 236.21395 162.6
[M+K]+ 257.14329 155.7
[M-H]- 217.17285 154.6
[M+Na-2H]- 239.15480 157.7
[M]+ 218.17958 156.0
[M]- 218.18068 156.0
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