CID 18815

1-chlorooctadecane

Structural Information

Molecular Formula
C18H37Cl
SMILES
CCCCCCCCCCCCCCCCCCCl
InChI
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
VUQPJRPDRDVQMN-UHFFFAOYSA-N
Compound name
1-chlorooctadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

35944
Patents

288.2584 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.26568 179.4
[M+Na]+ 311.24762 182.5
[M-H]- 287.25112 177.3
[M+NH4]+ 306.29222 196.3
[M+K]+ 327.22156 176.9
[M+H-H2O]+ 271.25566 173.6
[M+HCOO]- 333.25660 194.7
[M+CH3COO]- 347.27225 207.4
[M+Na-2H]- 309.23307 179.6
[M]+ 288.25785 187.0
[M]- 288.25895 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.