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
3
Annotation Hits

0
References

268
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 156.7
[M+Na]+ 241.16935 161.8
[M-H]- 217.17285 155.5
[M+NH4]+ 236.21395 176.4
[M+K]+ 257.14329 157.6
[M+H-H2O]+ 201.17739 152.0
[M+HCOO]- 263.17833 173.6
[M+CH3COO]- 277.19398 192.5
[M+Na-2H]- 239.15480 159.6
[M]+ 218.17958 162.4
[M]- 218.18068 162.4
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