CID 129854333

Dtxsid001023960

Structural Information

Molecular Formula
C20H39ClO3
SMILES
CCCCCCCCC(C(CCCCCCCC(=O)OC)OC)Cl
InChI
InChI=1S/C20H39ClO3/c1-4-5-6-7-9-12-15-18(21)19(23-2)16-13-10-8-11-14-17-20(22)24-3/h18-19H,4-17H2,1-3H3
InChIKey
GSYSBKXYHQLVAW-UHFFFAOYSA-N
Compound name
methyl 10-chloro-9-methoxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25876 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26604 196.7
[M+Na]+ 385.24798 198.7
[M-H]- 361.25148 194.7
[M+NH4]+ 380.29258 210.4
[M+K]+ 401.22192 194.8
[M+H-H2O]+ 345.25602 190.6
[M+HCOO]- 407.25696 209.5
[M+CH3COO]- 421.27261 219.3
[M+Na-2H]- 383.23343 192.3
[M]+ 362.25821 206.9
[M]- 362.25931 206.9
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

No patent data available for this compound.