CID 4081216

1,2-dichlorododecane

Structural Information

Molecular Formula

C₁₂H₂₄Cl₂

SMILES

CCCCCCCCCCC(CCl)Cl

InChI

InChI=1S/C12H24Cl2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11H2,1H3

InChIKey

HMBLILXCOAXXCR-UHFFFAOYSA-N

Compound name

1,2-dichlorododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 238.1255 Da
Monoisotopic Mass: 6.5
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]+	239.13278	157.9
[M+Na]+	261.11472	163.6
[M-H]-	237.11822	156.3
[M+NH4]+	256.15932	177.0
[M+K]+	277.08866	158.2
[M+H-H2O]+	221.12276	154.1
[M+HCOO]-	283.12370	169.1
[M+CH3COO]-	297.13935	194.7
[M+Na-2H]-	259.10017	159.3
[M]+	238.12495	163.3
[M]-	238.12605	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe