CID 12552262

20618-92-2

Structural Information

Molecular Formula
C19H37ClO3
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CO)CCl
InChI
InChI=1S/C19H37ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,21H,2-17H2,1H3
InChIKey
NURTYQLWOUBFLF-UHFFFAOYSA-N
Compound name
(1-chloro-3-hydroxypropan-2-yl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.24313 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.25041 192.1
[M+Na]+ 371.23235 194.2
[M-H]- 347.23585 188.7
[M+NH4]+ 366.27695 205.6
[M+K]+ 387.20629 189.2
[M+H-H2O]+ 331.24039 186.2
[M+HCOO]- 393.24133 204.7
[M+CH3COO]- 407.25698 213.0
[M+Na-2H]- 369.21780 188.9
[M]+ 348.24258 200.6
[M]- 348.24368 200.6
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.