CID 3071907

139266-53-8

Structural Information

Molecular Formula
C13H10Br2O4
SMILES
COC(=O)C(C1(C(=O)C=C(O1)C2=CC=CC=C2)Br)Br
InChI
InChI=1S/C13H10Br2O4/c1-18-12(17)11(14)13(15)10(16)7-9(19-13)8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKey
AEHFFNDBTMLCOZ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(2-bromo-3-oxo-5-phenylfuran-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.8946 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.90188 164.3
[M+Na]+ 410.88382 174.4
[M-H]- 386.88732 174.1
[M+NH4]+ 405.92842 182.2
[M+K]+ 426.85776 161.5
[M+H-H2O]+ 370.89186 172.9
[M+HCOO]- 432.89280 179.1
[M+CH3COO]- 446.90845 212.9
[M+Na-2H]- 408.86927 168.5
[M]+ 387.89405 200.6
[M]- 387.89515 200.6
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.