CID 11959029

1-bromo-3,5-diethylbenzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CCC1=CC(=CC(=C1)Br)CC
InChI
InChI=1S/C10H13Br/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3
InChIKey
GJZCXWCBZPSQEV-UHFFFAOYSA-N
Compound name
1-bromo-3,5-diethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

212.02007 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 137.9
[M+Na]+ 235.00929 142.7
[M+NH4]+ 230.05389 144.0
[M+K]+ 250.98323 141.1
[M-H]- 211.01279 139.7
[M+Na-2H]- 232.99474 142.6
[M]+ 212.01952 138.0
[M]- 212.02062 138.0
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