CID 6448508

139292-29-8

Structural Information

Molecular Formula
C19H13BrO3
SMILES
CC1=CC=C(C=C1)C2=CC(=O)/C(=C\C(=O)C3=CC=C(C=C3)Br)/O2
InChI
InChI=1S/C19H13BrO3/c1-12-2-4-14(5-3-12)18-11-17(22)19(23-18)10-16(21)13-6-8-15(20)9-7-13/h2-11H,1H3/b19-10+
InChIKey
RWGQCWLSBQUBPK-VXLYETTFSA-N
Compound name
(2E)-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.00482 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.01210 180.0
[M+Na]+ 390.99404 191.4
[M-H]- 366.99754 193.1
[M+NH4]+ 386.03864 196.6
[M+K]+ 406.96798 180.1
[M+H-H2O]+ 351.00208 179.1
[M+HCOO]- 413.00302 200.1
[M+CH3COO]- 427.01867 210.3
[M+Na-2H]- 388.97949 181.6
[M]+ 368.00427 199.7
[M]- 368.00537 199.7
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.