CID 53416600

1260857-12-2

Structural Information

Molecular Formula
C8H5Br2ClO
SMILES
C1=CC(=C(C=C1Cl)C(=O)CBr)Br
InChI
InChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(11)1-2-7(6)10/h1-3H,4H2
InChIKey
QYCKDSADJBHHTL-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-bromo-5-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.83957 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.84685 140.3
[M+Na]+ 332.82879 153.0
[M-H]- 308.83229 147.4
[M+NH4]+ 327.87339 160.1
[M+K]+ 348.80273 136.0
[M+H-H2O]+ 292.83683 149.4
[M+HCOO]- 354.83777 153.1
[M+CH3COO]- 368.85342 203.8
[M+Na-2H]- 330.81424 147.0
[M]+ 309.83902 175.9
[M]- 309.84012 175.9
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

No patent data available for this compound.