CID 522160

2-bromo-1,3-diethylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

169
Patents

212.02007 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe