CID 20996

1-chloropentadecane

Structural Information

Molecular Formula
C15H31Cl
SMILES
CCCCCCCCCCCCCCCCl
InChI
InChI=1S/C15H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChIKey
WFDSCHJVWDKDFK-UHFFFAOYSA-N
Compound name
1-chloropentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

246.21143 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21871 163.1
[M+Na]+ 269.20065 173.7
[M+NH4]+ 264.24525 171.3
[M+K]+ 285.17459 163.8
[M-H]- 245.20415 163.5
[M+Na-2H]- 267.18610 166.1
[M]+ 246.21088 165.0
[M]- 246.21198 165.0
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