CID 15479807

75369-41-4

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

150
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 136.5
[M+Na]+ 234.97289 148.0
[M-H]- 210.97639 143.0
[M+NH4]+ 230.01749 158.9
[M+K]+ 250.94683 137.5
[M+H-H2O]+ 194.98093 137.0
[M+HCOO]- 256.98187 158.0
[M+CH3COO]- 270.99752 184.9
[M+Na-2H]- 232.95834 143.8
[M]+ 211.98312 155.4
[M]- 211.98422 155.4
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