CID 237771

3,4-dibromo-4-phenyl-2-butanone

Structural Information

Molecular Formula
C10H10Br2O
SMILES
CC(=O)C(C(C1=CC=CC=C1)Br)Br
InChI
InChI=1S/C10H10Br2O/c1-7(13)9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10H,1H3
InChIKey
DQQMRIMUYWACAY-UHFFFAOYSA-N
Compound name
3,4-dibromo-4-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

303.90985 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.91713 147.6
[M+Na]+ 326.89907 156.6
[M-H]- 302.90257 154.0
[M+NH4]+ 321.94367 166.2
[M+K]+ 342.87301 141.8
[M+H-H2O]+ 286.90711 155.6
[M+HCOO]- 348.90805 161.8
[M+CH3COO]- 362.92370 205.0
[M+Na-2H]- 324.88452 152.4
[M]+ 303.90930 180.7
[M]- 303.91040 180.7
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