CID 17043

1-chlorotetradecane

Structural Information

Molecular Formula
C14H29Cl
SMILES
CCCCCCCCCCCCCCCl
InChI
InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKey
RNHWYOLIEJIAMV-UHFFFAOYSA-N
Compound name
1-chlorotetradecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2497
Patents

232.19579 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20307 161.3
[M+Na]+ 255.18501 166.0
[M-H]- 231.18851 159.9
[M+NH4]+ 250.22961 180.4
[M+K]+ 271.15895 161.5
[M+H-H2O]+ 215.19305 156.3
[M+HCOO]- 277.19399 177.9
[M+CH3COO]- 291.20964 195.5
[M+Na-2H]- 253.17046 163.6
[M]+ 232.19524 167.3
[M]- 232.19634 167.3
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