CID 118573493

1-(4-bromo-3-(chloromethyl)phenyl)ethanone

Structural Information

Molecular Formula
C9H8BrClO
SMILES
CC(=O)C1=CC(=C(C=C1)Br)CCl
InChI
InChI=1S/C9H8BrClO/c1-6(12)7-2-3-9(10)8(4-7)5-11/h2-4H,5H2,1H3
InChIKey
OJLNZARUKSAISK-UHFFFAOYSA-N
Compound name
1-[4-bromo-3-(chloromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

245.94472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 140.6
[M+Na]+ 268.93394 145.7
[M+NH4]+ 263.97854 146.3
[M+K]+ 284.90788 144.6
[M-H]- 244.93744 141.6
[M+Na-2H]- 266.91939 144.8
[M]+ 245.94417 140.8
[M]- 245.94527 140.8
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