CID 15479807

1-(3-bromomethyl-phenyl)-ethanone

Structural Information

Molecular Formula
C9H9BrO
SMILES
CC(=O)C1=CC=CC(=C1)CBr
InChI
InChI=1S/C9H9BrO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3
InChIKey
TZVOWUZAOVUUBP-UHFFFAOYSA-N
Compound name
1-[3-(bromomethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

211.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 135.0
[M+Na]+ 234.97289 139.1
[M+NH4]+ 230.01749 140.5
[M+K]+ 250.94683 138.7
[M-H]- 210.97639 136.0
[M+Na-2H]- 232.95834 139.4
[M]+ 211.98312 134.7
[M]- 211.98422 134.7
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