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]+ 241.02226 147.2
[M+Na]+ 263.00420 157.5
[M-H]- 239.00770 153.3
[M+NH4]+ 258.04880 168.4
[M+K]+ 278.97814 146.8
[M+H-H2O]+ 223.01224 147.7
[M+HCOO]- 285.01318 166.6
[M+CH3COO]- 299.02883 189.8
[M+Na-2H]- 260.98965 154.6
[M]+ 240.01443 166.0
[M]- 240.01553 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