CID 10857618

2-bromo-3-methyl-1-phenylbutan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

240.01498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 142.0
[M+Na]+ 263.00420 144.7
[M+NH4]+ 258.04880 146.9
[M+K]+ 278.97814 145.2
[M-H]- 239.00770 142.4
[M+Na-2H]- 260.98965 145.5
[M]+ 240.01443 141.3
[M]- 240.01553 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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