CID 71299192

Methyl 1-(4-bromophenyl)-3-oxocyclobutanecarboxylate

Structural Information

Molecular Formula
C12H11BrO3
SMILES
COC(=O)C1(CC(=O)C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H11BrO3/c1-16-11(15)12(6-10(14)7-12)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChIKey
LURHGJIPPTYEDO-UHFFFAOYSA-N
Compound name
methyl 1-(4-bromophenyl)-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

281.98917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99645 151.4
[M+Na]+ 304.97839 150.8
[M+NH4]+ 300.02299 153.4
[M+K]+ 320.95233 151.2
[M-H]- 280.98189 150.0
[M+Na-2H]- 302.96384 153.9
[M]+ 281.98862 148.8
[M]- 281.98972 148.8
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