CID 103779

Tetradecanoyl chloride, 2-bromo-

Structural Information

Molecular Formula

C₁₄H₂₆BrClO

SMILES

CCCCCCCCCCCCC(C(=O)Cl)Br

InChI

InChI=1S/C14H26BrClO/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3

InChIKey

NQGSQVLNRHHKHS-UHFFFAOYSA-N

Compound name

2-bromotetradecanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 324.08557 Da
Monoisotopic Mass: 7.7
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]+	325.09285	173.7
[M+Na]+	347.07479	182.1
[M-H]-	323.07829	175.3
[M+NH4]+	342.11939	192.6
[M+K]+	363.04873	168.3
[M+H-H2O]+	307.08283	173.9
[M+HCOO]-	369.08377	186.6
[M+CH3COO]-	383.09942	206.6
[M+Na-2H]-	345.06024	174.8
[M]+	324.08502	197.1
[M]-	324.08612	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe