CID 4061409

1,3-bis(2-bromo-4,5-dimethoxyphenyl)-2-propen-1-one

Structural Information

Molecular Formula
C19H18Br2O5
SMILES
COC1=C(C=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2Br)OC)OC)Br)OC
InChI
InChI=1S/C19H18Br2O5/c1-23-16-7-11(13(20)9-18(16)25-3)5-6-15(22)12-8-17(24-2)19(26-4)10-14(12)21/h5-10H,1-4H3
InChIKey
MMOJMXAKPDLGNF-UHFFFAOYSA-N
Compound name
1,3-bis(2-bromo-4,5-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.9521 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.95938 179.4
[M+Na]+ 506.94132 189.2
[M-H]- 482.94482 188.4
[M+NH4]+ 501.98592 192.7
[M+K]+ 522.91526 174.7
[M+H-H2O]+ 466.94936 185.2
[M+HCOO]- 528.95030 194.1
[M+CH3COO]- 542.96595 231.2
[M+Na-2H]- 504.92677 181.0
[M]+ 483.95155 219.0
[M]- 483.95265 219.0
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.