CID 221012

Bis(5-bromo-2-hydroxyphenyl)methanone

Structural Information

Molecular Formula
C13H8Br2O3
SMILES
C1=CC(=C(C=C1Br)C(=O)C2=C(C=CC(=C2)Br)O)O
InChI
InChI=1S/C13H8Br2O3/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6,16-17H
InChIKey
VRLIJNKTPYPWQI-UHFFFAOYSA-N
Compound name
bis(5-bromo-2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

369.88403 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.89131 156.7
[M+Na]+ 392.87325 166.8
[M-H]- 368.87675 164.0
[M+NH4]+ 387.91785 172.3
[M+K]+ 408.84719 151.1
[M+H-H2O]+ 352.88129 164.1
[M+HCOO]- 414.88223 170.5
[M+CH3COO]- 428.89788 210.1
[M+Na-2H]- 390.85870 161.0
[M]+ 369.88348 190.1
[M]- 369.88458 190.1
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.