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 145.1
[M+Na]+ 239.03648 153.1
[M-H]- 215.03998 147.8
[M+NH4]+ 234.08108 165.1
[M+K]+ 255.01042 147.9
[M+H-H2O]+ 199.04452 141.2
[M+HCOO]- 261.04546 156.8
[M+CH3COO]- 275.06111 187.3
[M+Na-2H]- 237.02193 150.4
[M]+ 216.04671 147.7
[M]- 216.04781 147.7
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.