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

7
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 144.9
[M+Na]+ 249.02492 155.1
[M-H]- 225.02842 151.1
[M+NH4]+ 244.06952 166.9
[M+K]+ 264.99886 144.6
[M+H-H2O]+ 209.03296 145.3
[M+HCOO]- 271.03390 164.4
[M+CH3COO]- 285.04955 190.4
[M+Na-2H]- 247.01037 149.9
[M]+ 226.03515 163.2
[M]- 226.03625 163.2
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