CID 44828481

K114 compound

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

19
References

22
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.