CID 3085550

Docosane, 2-chloro-

Structural Information

Molecular Formula

C₂₂H₄₅Cl

SMILES

CCCCCCCCCCCCCCCCCCCC[C@H](C)Cl

InChI

InChI=1S/C22H45Cl/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h22H,3-21H2,1-2H3/t22-/m0/s1

InChIKey

VUAGIIPUXBAOEO-QFIPXVFZSA-N

Compound name

(2S)-2-chlorodocosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 344.32098 Da
Monoisotopic Mass: 11.8
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]+	345.32826	198.1
[M+Na]+	367.31020	199.3
[M-H]-	343.31370	195.3
[M+NH4]+	362.35480	212.7
[M+K]+	383.28414	193.0
[M+H-H2O]+	327.31824	191.6
[M+HCOO]-	389.31918	211.1
[M+CH3COO]-	403.33483	219.8
[M+Na-2H]-	365.29565	194.8
[M]+	344.32043	206.6
[M]-	344.32153	206.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe