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

34014
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

literature stripe

Patent stripe

patents stripe