CID 6455161

65581-15-9

Structural Information

Molecular Formula
C19H22Br2O4
SMILES
CC(C)(C1=CC(=C(C=C1)OCCO)Br)C2=CC(=C(C=C2)OCCO)Br
InChI
InChI=1S/C19H22Br2O4/c1-19(2,13-3-5-17(15(20)11-13)24-9-7-22)14-4-6-18(16(21)12-14)25-10-8-23/h3-6,11-12,22-23H,7-10H2,1-2H3
InChIKey
LFEXGRKRPALUFH-UHFFFAOYSA-N
Compound name
2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

471.9885 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.99578 186.6
[M+Na]+ 494.97772 194.4
[M-H]- 470.98122 192.9
[M+NH4]+ 490.02232 198.9
[M+K]+ 510.95166 178.7
[M+H-H2O]+ 454.98576 192.7
[M+HCOO]- 516.98670 197.9
[M+CH3COO]- 531.00235 225.4
[M+Na-2H]- 492.96317 189.3
[M]+ 471.98795 222.9
[M]- 471.98905 222.9
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