CID 16205358

82941-06-8

Structural Information

Molecular Formula
C19H16Br4O3
SMILES
CC(=C)C(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)O)Br)Br
InChI
InChI=1S/C19H16Br4O3/c1-9(2)18(25)26-17-14(22)7-11(8-15(17)23)19(3,4)10-5-12(20)16(24)13(21)6-10/h5-8,24H,1H2,2-4H3
InChIKey
JBGLUFHZMYDKGF-UHFFFAOYSA-N
Compound name
[2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

607.78326 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.79054 181.0
[M+Na]+ 630.77248 185.5
[M-H]- 606.77598 185.2
[M+NH4]+ 625.81708 188.3
[M+K]+ 646.74642 172.7
[M+H-H2O]+ 590.78052 197.8
[M+HCOO]- 652.78146 183.9
[M+CH3COO]- 666.79711 246.1
[M+Na-2H]- 628.75793 179.4
[M]+ 607.78271 219.4
[M]- 607.78381 219.4
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