CID 3516438

Heptadecanoyl chloride

Structural Information

Molecular Formula

C₁₇H₃₃ClO

SMILES

CCCCCCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C17H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3

InChIKey

ICDQUAGMQCUEMY-UHFFFAOYSA-N

Compound name

heptadecanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 437
Patents: 288.222 Da
Monoisotopic Mass: 7.9
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]+	289.22928	177.0
[M+Na]+	311.21122	180.6
[M-H]-	287.21472	175.2
[M+NH4]+	306.25582	193.7
[M+K]+	327.18516	175.5
[M+H-H2O]+	271.21926	171.4
[M+HCOO]-	333.22020	192.1
[M+CH3COO]-	347.23585	206.0
[M+Na-2H]-	309.19667	176.5
[M]+	288.22145	184.4
[M]-	288.22255	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe