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

239
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 165.9
[M+Na]+ 269.20065 170.1
[M-H]- 245.20415 164.3
[M+NH4]+ 264.24525 184.4
[M+K]+ 285.17459 165.4
[M+H-H2O]+ 229.20869 160.7
[M+HCOO]- 291.20963 182.1
[M+CH3COO]- 305.22528 198.4
[M+Na-2H]- 267.18610 167.6
[M]+ 246.21088 172.3
[M]- 246.21198 172.3
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