CID 293184

Nsc159516

Structural Information

Molecular Formula
C22H29BrO2
SMILES
C1=CC(=CC(=C1)O)C2=CC(=CC=C2)OCCCCCCCCCCBr
InChI
InChI=1S/C22H29BrO2/c23-15-7-5-3-1-2-4-6-8-16-25-22-14-10-12-20(18-22)19-11-9-13-21(24)17-19/h9-14,17-18,24H,1-8,15-16H2
InChIKey
WZARBSICRQXUGN-UHFFFAOYSA-N
Compound name
3-[3-(10-bromodecoxy)phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1351 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14238 194.3
[M+Na]+ 427.12432 201.4
[M-H]- 403.12782 200.5
[M+NH4]+ 422.16892 208.3
[M+K]+ 443.09826 187.7
[M+H-H2O]+ 387.13236 191.7
[M+HCOO]- 449.13330 212.2
[M+CH3COO]- 463.14895 217.5
[M+Na-2H]- 425.10977 196.7
[M]+ 404.13455 216.1
[M]- 404.13565 216.1
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.