CID 4992116

34911-51-8

Structural Information

Molecular Formula
C9H8BrClO
SMILES
CC(C(=O)C1=CC(=CC=C1)Cl)Br
InChI
InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKey
OFNMQTRHMBQQEA-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

245.94472 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 139.9
[M+Na]+ 268.93394 144.4
[M+NH4]+ 263.97854 145.5
[M+K]+ 284.90788 143.9
[M-H]- 244.93744 140.7
[M+Na-2H]- 266.91939 144.1
[M]+ 245.94417 139.9
[M]- 245.94527 139.9
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