CID 244751

2-bromo-1-(3,4-dichlorophenyl)ethanone

Structural Information

Molecular Formula
C8H5BrCl2O
SMILES
C1=CC(=C(C=C1C(=O)CBr)Cl)Cl
InChI
InChI=1S/C8H5BrCl2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKey
PAKFHEFMTRCFAU-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,4-dichlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

686
Patents

265.89008 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.89736 140.2
[M+Na]+ 288.87930 154.6
[M-H]- 264.88280 146.4
[M+NH4]+ 283.92390 162.2
[M+K]+ 304.85324 140.7
[M+H-H2O]+ 248.88734 142.6
[M+HCOO]- 310.88828 152.9
[M+CH3COO]- 324.90393 191.1
[M+Na-2H]- 286.86475 146.6
[M]+ 265.88953 161.7
[M]- 265.89063 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