CID 13602381

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

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC(C)(C1=CC=CC=C1)C(=O)CBr
InChI
InChI=1S/C11H13BrO/c1-11(2,10(13)8-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
CTLIUECECLLPLN-UHFFFAOYSA-N
Compound name
1-bromo-3-methyl-3-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.01498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 147.2
[M+Na]+ 263.004198 157.5
[M-H]- 239.007704 153.3
[M+NH4]+ 258.048803 168.4
[M+K]+ 278.978138 146.8
[M+H-H2O]+ 223.012240 147.7
[M+HCOO]- 285.013181 166.6
[M+CH3COO]- 299.028831 189.8
[M+Na-2H]- 260.989646 154.6
[M]+ 240.01443142 166.0
[M]- 240.01552858 166.0
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