CID 87288

Tridecanoyl chloride

Structural Information

Molecular Formula

C₁₃H₂₅ClO

SMILES

CCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C13H25ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3

InChIKey

FJRPWCNFWGBGOF-UHFFFAOYSA-N

Compound name

tridecanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 426
Patents: 232.1594 Da
Monoisotopic Mass: 5.7
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]+	233.16668	158.6
[M+Na]+	255.14862	163.9
[M-H]-	231.15212	157.6
[M+NH4]+	250.19322	177.6
[M+K]+	271.12256	159.9
[M+H-H2O]+	215.15666	153.9
[M+HCOO]-	277.15760	175.1
[M+CH3COO]-	291.17325	194.1
[M+Na-2H]-	253.13407	160.3
[M]+	232.15885	164.5
[M]-	232.15995	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe