CID 506547

4-(3,4-dibromophenyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula
C11H8Br2O2
SMILES
CC1C=C(C(=O)O1)C2=CC(=C(C=C2)Br)Br
InChI
InChI=1S/C11H8Br2O2/c1-6-4-8(11(14)15-6)7-2-3-9(12)10(13)5-7/h2-6H,1H3
InChIKey
OMCBJHNPHXUIEO-UHFFFAOYSA-N
Compound name
4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.8891 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.89638 152.4
[M+Na]+ 352.87832 164.5
[M-H]- 328.88182 162.6
[M+NH4]+ 347.92292 171.3
[M+K]+ 368.85226 150.5
[M+H-H2O]+ 312.88636 160.8
[M+HCOO]- 374.88730 168.8
[M+CH3COO]- 388.90295 207.2
[M+Na-2H]- 350.86377 157.3
[M]+ 329.88855 187.6
[M]- 329.88965 187.6
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

No patent data available for this compound.