CID 79018226

1261775-99-8

Structural Information

Molecular Formula
C8H5Br2ClO
SMILES
C1=CC(=C(C=C1Br)C(=O)CBr)Cl
InChI
InChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
InChIKey
CPYOJYNOGRYUIQ-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-bromo-2-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe