CID 5747343

Brn 5443656

Structural Information

Molecular Formula
C19H15BrO4
SMILES
CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)/C=C(/C2=CC=C(C=C2)Br)\O)/O
InChI
InChI=1S/C19H15BrO4/c1-12-2-4-13(5-3-12)16(21)10-18(23)19(24)11-17(22)14-6-8-15(20)9-7-14/h2-11,21-22H,1H3/b16-10-,17-11-
InChIKey
HDNJOIHPXMXFKE-APGQMXJTSA-N
Compound name
(1Z,5Z)-1-(4-bromophenyl)-1,6-dihydroxy-6-(4-methylphenyl)hexa-1,5-diene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.01538 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02266 174.6
[M+Na]+ 409.00460 176.6
[M+NH4]+ 404.04920 176.4
[M+K]+ 424.97854 177.8
[M-H]- 385.00810 174.2
[M+Na-2H]- 406.99005 176.7
[M]+ 386.01483 173.3
[M]- 386.01593 173.3
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.