CID 43370362

1-(4-bromophenyl)pentan-3-one

Structural Information

Molecular Formula
C11H13BrO
SMILES
CCC(=O)CCC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H13BrO/c1-2-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKey
OJRCYJXPCRXMLO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)pentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 144.1
[M+Na]+ 263.00420 147.8
[M+NH4]+ 258.04880 149.3
[M+K]+ 278.97814 146.9
[M-H]- 239.00770 145.0
[M+Na-2H]- 260.98965 147.9
[M]+ 240.01443 143.7
[M]- 240.01553 143.7
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

No patent data available for this compound.