CID 13682012

1-(1-bromoethyl)-4-(propan-2-yl)benzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CC(C)C1=CC=C(C=C1)C(C)Br
InChI
InChI=1S/C11H15Br/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,1-3H3
InChIKey
RZANZYMHOGTILI-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.0357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04298 140.6
[M+Na]+ 249.02492 144.4
[M+NH4]+ 244.06952 146.4
[M+K]+ 264.99886 143.9
[M-H]- 225.02842 142.0
[M+Na-2H]- 247.01037 144.7
[M]+ 226.03515 140.4
[M]- 226.03625 140.4
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