CID 3788219

2-bromo-1-(4-chlorophenyl)propan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

245.94472 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 141.4
[M+Na]+ 268.93394 153.7
[M-H]- 244.93744 147.9
[M+NH4]+ 263.97854 163.4
[M+K]+ 284.90788 141.5
[M+H-H2O]+ 228.94198 142.8
[M+HCOO]- 290.94292 157.7
[M+CH3COO]- 304.95857 189.3
[M+Na-2H]- 266.91939 147.3
[M]+ 245.94417 161.7
[M]- 245.94527 161.7
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