CID 8192

1-chlorododecane

Structural Information

Molecular Formula

C₁₂H₂₅Cl

SMILES

CCCCCCCCCCCCCl

InChI

InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3

InChIKey

YAYNEUUHHLGGAH-UHFFFAOYSA-N

Compound name

1-chlorododecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 7369
Patents: 204.16447 Da
Monoisotopic Mass: 6.9
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]+	205.17175	152.1
[M+Na]+	227.15369	157.6
[M-H]-	203.15719	151.1
[M+NH4]+	222.19829	172.4
[M+K]+	243.12763	153.7
[M+H-H2O]+	187.16173	147.6
[M+HCOO]-	249.16267	169.4
[M+CH3COO]-	263.17832	189.5
[M+Na-2H]-	225.13914	155.6
[M]+	204.16392	157.4
[M]-	204.16502	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe