CID 11287326

1-(2-bromo-4-methylphenyl)ethanone

Structural Information

Molecular Formula
C9H9BrO
SMILES
CC1=CC(=C(C=C1)C(=O)C)Br
InChI
InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,1-2H3
InChIKey
WQUTYGRAHPHFBE-UHFFFAOYSA-N
Compound name
1-(2-bromo-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

211.98367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 134.4
[M+Na]+ 234.97289 138.7
[M+NH4]+ 230.01749 139.8
[M+K]+ 250.94683 138.5
[M-H]- 210.97639 135.4
[M+Na-2H]- 232.95834 138.6
[M]+ 211.98312 134.1
[M]- 211.98422 134.1
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