CID 90870

23022-83-5

Structural Information

Molecular Formula
C9H9BrO
SMILES
CC(=O)C(C1=CC=CC=C1)Br
InChI
InChI=1S/C9H9BrO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKey
LHMXBAUNIRFZCP-UHFFFAOYSA-N
Compound name
1-bromo-1-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

211.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 134.4
[M+Na]+ 234.97289 137.8
[M+NH4]+ 230.01749 139.7
[M+K]+ 250.94683 138.0
[M-H]- 210.97639 135.1
[M+Na-2H]- 232.95834 138.7
[M]+ 211.98312 133.9
[M]- 211.98422 133.9
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