CID 46781684

87505-04-2

Structural Information

Molecular Formula
C20H39ClO3
SMILES
CCCCCCCCCCCCCCCCC(=O)OCC(CCl)O
InChI
InChI=1S/C20H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,22H,2-18H2,1H3
InChIKey
RLJUXUGMOYWYGM-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl) heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25876 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26604 196.6
[M+Na]+ 385.24798 198.2
[M-H]- 361.25148 192.9
[M+NH4]+ 380.29258 209.5
[M+K]+ 401.22192 193.0
[M+H-H2O]+ 345.25602 190.5
[M+HCOO]- 407.25696 208.8
[M+CH3COO]- 421.27261 215.9
[M+Na-2H]- 383.23343 192.9
[M]+ 362.25821 205.4
[M]- 362.25931 205.4
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.