CID 21421283

(4-chloro-2-methylbutan-2-yl)benzene

Structural Information

Molecular Formula
C11H15Cl
SMILES
CC(C)(CCCl)C1=CC=CC=C1
InChI
InChI=1S/C11H15Cl/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
SIOCXDIAZOPHFU-UHFFFAOYSA-N
Compound name
(4-chloro-2-methylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.08623 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.093506 139.4
[M+Na]+ 205.075448 147.3
[M-H]- 181.078954 142.8
[M+NH4]+ 200.120053 160.5
[M+K]+ 221.049388 143.3
[M+H-H2O]+ 165.083490 134.9
[M+HCOO]- 227.084431 157.2
[M+CH3COO]- 241.100081 181.8
[M+Na-2H]- 203.060896 146.7
[M]+ 182.08568142 141.6
[M]- 182.08677858 141.6
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

patents stripe