CID 103922

51637-93-5

Structural Information

Molecular Formula

C₁₉H₃₇ClO₂

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)Cl

InChI

InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3

InChIKey

JQDURWGNZCVESS-UHFFFAOYSA-N

Compound name

octadecyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 332.2482 Da
Monoisotopic Mass: 9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.25548	189.0
[M+Na]+	355.23742	191.8
[M-H]-	331.24092	186.9
[M+NH4]+	350.28202	204.0
[M+K]+	371.21136	186.7
[M+H-H2O]+	315.24546	182.9
[M+HCOO]-	377.24640	203.8
[M+CH3COO]-	391.26205	213.0
[M+Na-2H]-	353.22287	187.5
[M]+	332.24765	198.6
[M]-	332.24875	198.6

Literature stripe

literature stripe

Patent stripe

patents stripe