CID 21016051

1-(4-bromophenyl)-3-methylbutan-2-one

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC(C)C(=O)CC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H13BrO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
JRBLQIGLNQICEZ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 142.7
[M+Na]+ 263.00420 146.1
[M+NH4]+ 258.04880 147.8
[M+K]+ 278.97814 146.0
[M-H]- 239.00770 143.4
[M+Na-2H]- 260.98965 146.3
[M]+ 240.01443 142.2
[M]- 240.01553 142.2
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