CID 123170

1-bromo-3-ethylbenzene

Structural Information

Molecular Formula
C8H9Br
SMILES
CCC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
InChIKey
ZRFJYAZQMFCUIX-UHFFFAOYSA-N
Compound name
1-bromo-3-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1375
Patents

183.98875 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99603 129.4
[M+Na]+ 206.97797 134.3
[M+NH4]+ 202.02257 135.8
[M+K]+ 222.95191 132.9
[M-H]- 182.98147 131.2
[M+Na-2H]- 204.96342 134.8
[M]+ 183.98820 129.5
[M]- 183.98930 129.5
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