CID 12622506

60207-20-7

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

86
Patents

289.8942 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.90148 139.4
[M+Na]+ 312.88342 150.6
[M-H]- 288.88692 146.4
[M+NH4]+ 307.92802 159.1
[M+K]+ 328.85736 135.4
[M+H-H2O]+ 272.89146 147.7
[M+HCOO]- 334.89240 155.5
[M+CH3COO]- 348.90805 203.2
[M+Na-2H]- 310.86887 145.9
[M]+ 289.89365 173.9
[M]- 289.89475 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