CID 100956

2-chlorododecanoyl chloride

Structural Information

Molecular Formula

C₁₂H₂₂Cl₂O

SMILES

CCCCCCCCCCC(C(=O)Cl)Cl

InChI

InChI=1S/C12H22Cl2O/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3

InChIKey

KYDQZTVYWBOPGR-UHFFFAOYSA-N

Compound name

2-chlorododecanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 252.10477 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]+	253.11205	159.1
[M+Na]+	275.09399	164.9
[M-H]-	251.09749	157.8
[M+NH4]+	270.13859	177.6
[M+K]+	291.06793	159.9
[M+H-H2O]+	235.10203	155.5
[M+HCOO]-	297.10297	169.9
[M+CH3COO]-	311.11862	196.4
[M+Na-2H]-	273.07944	159.4
[M]+	252.10422	164.8
[M]-	252.10532	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe