CID 12622506

2-bromo-1-(4-bromo-2-methylphenyl)ethanone

Structural Information

Molecular Formula
C9H8Br2O
SMILES
CC1=C(C=CC(=C1)Br)C(=O)CBr
InChI
InChI=1S/C9H8Br2O/c1-6-4-7(11)2-3-8(6)9(12)5-10/h2-4H,5H2,1H3
InChIKey
PJEXBMOOBWGMBY-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-bromo-2-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

289.8942 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.901476 139.4
[M+Na]+ 312.883418 150.6
[M-H]- 288.886924 146.4
[M+NH4]+ 307.928023 159.1
[M+K]+ 328.857358 135.4
[M+H-H2O]+ 272.891460 147.7
[M+HCOO]- 334.892401 155.5
[M+CH3COO]- 348.908051 203.2
[M+Na-2H]- 310.868866 145.9
[M]+ 289.89365142 173.9
[M]- 289.89474858 173.9
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

patents stripe