CID 118473170

Schembl17206840

Structural Information

Molecular Formula
C17H16Br4O3
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)OCCO)Br
InChI
InChI=1S/C17H16Br4O3/c1-17(2,9-5-11(18)15(23)12(19)6-9)10-7-13(20)16(14(21)8-10)24-4-3-22/h5-8,22-23H,3-4H2,1-2H3
InChIKey
VKVVNOXPUOIVQX-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

583.78326 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.79054 176.4
[M+Na]+ 606.77248 181.0
[M-H]- 582.77598 180.2
[M+NH4]+ 601.81708 183.9
[M+K]+ 622.74642 168.1
[M+H-H2O]+ 566.78052 193.3
[M+HCOO]- 628.78146 179.6
[M+CH3COO]- 642.79711 243.6
[M+Na-2H]- 604.75793 176.0
[M]+ 583.78271 215.0
[M]- 583.78381 215.0
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

patents stripe