CID 66986

Myristoyl chloride

Structural Information

Molecular Formula

C₁₄H₂₇ClO

SMILES

CCCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3

InChIKey

LPWCRLGKYWVLHQ-UHFFFAOYSA-N

Compound name

tetradecanoyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 3042
Patents: 246.17505 Da
Monoisotopic Mass: 6.3
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]+	247.182326	163.3
[M+Na]+	269.164268	168.1
[M-H]-	245.167774	162.1
[M+NH4]+	264.208873	181.7
[M+K]+	285.138208	163.8
[M+H-H2O]+	229.172310	158.3
[M+HCOO]-	291.173251	179.4
[M+CH3COO]-	305.188901	197.1
[M+Na-2H]-	267.149716	164.4
[M]+	246.17450142	169.5
[M]-	246.17559858	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe