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
2
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]+ 217.054536 145.1
[M+Na]+ 239.036478 153.1
[M-H]- 215.039984 147.8
[M+NH4]+ 234.081083 165.1
[M+K]+ 255.010418 147.9
[M+H-H2O]+ 199.044520 141.2
[M+HCOO]- 261.045461 156.8
[M+CH3COO]- 275.061111 187.3
[M+Na-2H]- 237.021926 150.4
[M]+ 216.04671142 147.7
[M]- 216.04780858 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.