CID 129959664

1-(2-bromo-3-chlorophenyl)-2-chloroethan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.89008 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.