CID 13005391

(1-chloro-2,2-dimethylpropyl)benzene

Structural Information

Molecular Formula
C11H15Cl
SMILES
CC(C)(C)C(C1=CC=CC=C1)Cl
InChI
InChI=1S/C11H15Cl/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKey
CWQDDKWOLSHALN-UHFFFAOYSA-N
Compound name
(1-chloro-2,2-dimethylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

182.08623 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.093506 139.0
[M+Na]+ 205.075448 146.8
[M-H]- 181.078954 142.6
[M+NH4]+ 200.120053 160.1
[M+K]+ 221.049388 143.2
[M+H-H2O]+ 165.083490 134.7
[M+HCOO]- 227.084431 155.9
[M+CH3COO]- 241.100081 181.9
[M+Na-2H]- 203.060896 145.2
[M]+ 182.08568142 140.5
[M]- 182.08677858 140.5
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

patents stripe