CID 506545

4-(4-bromophenyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula
C11H9BrO2
SMILES
CC1C=C(C(=O)O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H9BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKey
RRKMOJGORKNBGP-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.97859 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98587 147.6
[M+Na]+ 274.96781 160.6
[M-H]- 250.97131 158.2
[M+NH4]+ 270.01241 169.3
[M+K]+ 290.94175 150.8
[M+H-H2O]+ 234.97585 148.3
[M+HCOO]- 296.97679 169.6
[M+CH3COO]- 310.99244 189.9
[M+Na-2H]- 272.95326 153.5
[M]+ 251.97804 167.6
[M]- 251.97914 167.6
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.