CID 4104741

Docosanoyl chloride

Structural Information

Molecular Formula

C₂₂H₄₃ClO

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C22H43ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3

InChIKey

QTHQYNCAWSGBCE-UHFFFAOYSA-N

Compound name

docosanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 943
Patents: 358.30023 Da
Monoisotopic Mass: 10.6
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]+	359.30751	199.5
[M+Na]+	381.28945	201.0
[M-H]-	357.29295	196.7
[M+NH4]+	376.33405	213.4
[M+K]+	397.26339	194.5
[M+H-H2O]+	341.29749	192.9
[M+HCOO]-	403.29843	212.9
[M+CH3COO]-	417.31408	220.7
[M+Na-2H]-	379.27490	196.3
[M]+	358.29968	208.8
[M]-	358.30078	208.8

Literature stripe

literature stripe

Patent stripe

patents stripe