CID 347124

1-(4-bromo-3-methylphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

211.98367 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe