CID 21156026

1-undecanol, 10,11-dichloro-

Structural Information

Molecular Formula

C₁₁H₂₂Cl₂O

SMILES

C(CCCCC(CCl)Cl)CCCCO

InChI

InChI=1S/C11H22Cl2O/c12-10-11(13)8-6-4-2-1-3-5-7-9-14/h11,14H,1-10H2

InChIKey

DTBDNKSFDNCDLG-UHFFFAOYSA-N

Compound name

10,11-dichloroundecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.10477 Da
Monoisotopic Mass: 4.4
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]+	241.11205	156.1
[M+Na]+	263.09399	161.8
[M-H]-	239.09749	153.4
[M+NH4]+	258.13859	174.4
[M+K]+	279.06793	156.3
[M+H-H2O]+	223.10203	152.7
[M+HCOO]-	285.10297	166.5
[M+CH3COO]-	299.11862	190.9
[M+Na-2H]-	261.07944	157.6
[M]+	240.10422	160.7
[M]-	240.10532	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe