CID 118551

33798-02-6

Structural Information

Molecular Formula
C19H16Br4O4
SMILES
CC(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)OC(=O)C)Br)Br
InChI
InChI=1S/C19H16Br4O4/c1-9(24)26-17-13(20)5-11(6-14(17)21)19(3,4)12-7-15(22)18(16(23)8-12)27-10(2)25/h5-8H,1-4H3
InChIKey
ZUBOJXBQSZDOID-UHFFFAOYSA-N
Compound name
[4-[2-(4-acetyloxy-3,5-dibromophenyl)propan-2-yl]-2,6-dibromophenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

623.7782 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.78548 169.7
[M+Na]+ 646.76742 164.6
[M+NH4]+ 641.81202 170.3
[M+K]+ 662.74136 170.7
[M-H]- 622.77092 171.5
[M+Na-2H]- 644.75287 170.4
[M]+ 623.77765 169.9
[M]- 623.77875 169.9
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