CID 87287

Undecanoyl chloride

Structural Information

Molecular Formula

C₁₁H₂₁ClO

SMILES

CCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3

InChIKey

JUKPJGZUFHCZQI-UHFFFAOYSA-N

Compound name

undecanoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1418
Patents: 204.1281 Da
Monoisotopic Mass: 4.6
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]+	205.13538	149.4
[M+Na]+	227.11732	155.4
[M-H]-	203.12082	148.7
[M+NH4]+	222.16192	169.5
[M+K]+	243.09126	152.0
[M+H-H2O]+	187.12536	145.1
[M+HCOO]-	249.12630	166.5
[M+CH3COO]-	263.14195	188.1
[M+Na-2H]-	225.10277	152.1
[M]+	204.12755	154.4
[M]-	204.12865	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe