CID 15500374

Phenol, 4,4'-(9h-fluoren-9-ylidene)bis[2,6-dibromo-

Structural Information

Molecular Formula
C25H14Br4O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C(=C4)Br)O)Br)C5=CC(=C(C(=C5)Br)O)Br
InChI
InChI=1S/C25H14Br4O2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12,30-31H
InChIKey
VYTXKAABSCYYEU-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

667
Patents

661.7727 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.77998 188.3
[M+Na]+ 684.76192 192.5
[M-H]- 660.76542 193.9
[M+NH4]+ 679.80652 196.4
[M+K]+ 700.73586 182.6
[M+H-H2O]+ 644.76996 206.4
[M+HCOO]- 706.77090 191.7
[M+CH3COO]- 720.78655 193.4
[M+Na-2H]- 682.74737 187.3
[M]+ 661.77215 226.4
[M]- 661.77325 226.4
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