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

92
Patents

182.08623 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09351 139.0
[M+Na]+ 205.07545 146.8
[M-H]- 181.07895 142.6
[M+NH4]+ 200.12005 160.1
[M+K]+ 221.04939 143.2
[M+H-H2O]+ 165.08349 134.7
[M+HCOO]- 227.08443 155.9
[M+CH3COO]- 241.10008 181.9
[M+Na-2H]- 203.06090 145.2
[M]+ 182.08568 140.5
[M]- 182.08678 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