CID 118296

[1-(dichloromethyl)-1-methylpropyl]benzene

Structural Information

Molecular Formula
C11H14Cl2
SMILES
CCC(C)(C1=CC=CC=C1)C(Cl)Cl
InChI
InChI=1S/C11H14Cl2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey
HZWWIJSYUMVUTJ-UHFFFAOYSA-N
Compound name
(1,1-dichloro-2-methylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04726 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05454 147.1
[M+Na]+ 239.03648 161.4
[M+NH4]+ 234.08108 157.0
[M+K]+ 255.01042 153.2
[M-H]- 215.03998 149.5
[M+Na-2H]- 237.02193 154.9
[M]+ 216.04671 150.6
[M]- 216.04781 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.