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

25
Patents

240.01498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 147.6
[M+Na]+ 263.004198 156.9
[M-H]- 239.007704 153.5
[M+NH4]+ 258.048803 168.5
[M+K]+ 278.978138 146.7
[M+H-H2O]+ 223.012240 147.7
[M+HCOO]- 285.013181 166.5
[M+CH3COO]- 299.028831 191.1
[M+Na-2H]- 260.989646 152.0
[M]+ 240.01443142 165.6
[M]- 240.01552858 165.6
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