CID 2756850

2-bromo-1-(5-bromo-2-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H8Br2O2
SMILES
COC1=C(C=C(C=C1)Br)C(=O)CBr
InChI
InChI=1S/C9H8Br2O2/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4H,5H2,1H3
InChIKey
IZFSYSCBZMJEQS-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-bromo-2-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

305.8891 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.896376 141.6
[M+Na]+ 328.878318 152.6
[M-H]- 304.881824 148.5
[M+NH4]+ 323.922923 160.6
[M+K]+ 344.852258 137.7
[M+H-H2O]+ 288.886360 149.6
[M+HCOO]- 350.887301 157.8
[M+CH3COO]- 364.902951 204.7
[M+Na-2H]- 326.863766 148.0
[M]+ 305.88855142 177.0
[M]- 305.88964858 177.0
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