CID 117957

Undecenoyl chloride

Structural Information

Molecular Formula

C₁₁H₁₉ClO

SMILES

CCCCCCCCC=CC(=O)Cl

InChI

InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3

InChIKey

RCFUFEMQNKVAGF-UHFFFAOYSA-N

Compound name

undec-2-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 381
Patents: 202.11244 Da
Monoisotopic Mass: 5.3
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]+	203.119716	148.0
[M+Na]+	225.101658	154.5
[M-H]-	201.105164	147.5
[M+NH4]+	220.146263	168.3
[M+K]+	241.075598	150.4
[M+H-H2O]+	185.109700	143.9
[M+HCOO]-	247.110641	165.4
[M+CH3COO]-	261.126291	186.5
[M+Na-2H]-	223.087106	150.9
[M]+	202.11189142	152.4
[M]-	202.11298858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe