CID 75867

3-bromophenetole

Structural Information

Molecular Formula
C8H9BrO
SMILES
CCOC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChIKey
LQBMPJSTUHWGDE-UHFFFAOYSA-N
Compound name
1-bromo-3-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

199.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 132.9
[M+Na]+ 222.97289 144.8
[M-H]- 198.97639 139.5
[M+NH4]+ 218.01749 156.0
[M+K]+ 238.94683 134.7
[M+H-H2O]+ 182.98093 133.6
[M+HCOO]- 244.98187 155.5
[M+CH3COO]- 258.99752 182.2
[M+Na-2H]- 220.95834 141.9
[M]+ 199.98312 152.8
[M]- 199.98422 152.8
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