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

literature stripe

Patent stripe

patents stripe