CID 44828481

(trans,trans)-1-bromo-2,5-bis-(4-hydroxy)styrylbenzene

Structural Information

Molecular Formula
C22H17BrO2
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)/C=C/C3=CC=C(C=C3)O)Br)O
InChI
InChI=1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+
InChIKey
OXPHQQMZTXMEGO-RJTULKDBSA-N
Compound name
4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

25
Patents

392.0412 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04848 187.4
[M+Na]+ 415.03042 197.3
[M-H]- 391.03392 196.6
[M+NH4]+ 410.07502 201.1
[M+K]+ 431.00436 182.2
[M+H-H2O]+ 375.03846 185.3
[M+HCOO]- 437.03940 205.4
[M+CH3COO]- 451.05505 211.3
[M+Na-2H]- 413.01587 190.2
[M]+ 392.04065 204.1
[M]- 392.04175 204.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe