CID 129923112

1,2,2-trichloro-3,3-dimethylbutane

Structural Information

Molecular Formula

C₆H₁₁Cl₃

SMILES

CC(C)(C)C(CCl)(Cl)Cl

InChI

InChI=1S/C6H11Cl3/c1-5(2,3)6(8,9)4-7/h4H2,1-3H3

InChIKey

UNUXIFMRASHGOU-UHFFFAOYSA-N

Compound name

1,2,2-trichloro-3,3-dimethylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.99263 Da
Monoisotopic Mass: 3.7
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]+	188.99991	137.2
[M+Na]+	210.98185	146.3
[M-H]-	186.98535	136.4
[M+NH4]+	206.02645	158.4
[M+K]+	226.95579	141.7
[M+H-H2O]+	170.98989	135.9
[M+HCOO]-	232.99083	142.9
[M+CH3COO]-	247.00648	182.1
[M+Na-2H]-	208.96730	143.1
[M]+	187.99208	139.6
[M]-	187.99318	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.