CID 3938243

1,2-bis(4-bromophenyl)-2-hydroxyethanone

Structural Information

Molecular Formula
C14H10Br2O2
SMILES
C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)Br)O)Br
InChI
InChI=1S/C14H10Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13,17H
InChIKey
NKUPPQSXKJCXSU-UHFFFAOYSA-N
Compound name
1,2-bis(4-bromophenyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

367.90475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.912026 159.9
[M+Na]+ 390.893968 168.8
[M-H]- 366.897474 167.7
[M+NH4]+ 385.938573 175.8
[M+K]+ 406.867908 153.5
[M+H-H2O]+ 350.902010 167.4
[M+HCOO]- 412.902951 173.7
[M+CH3COO]- 426.918601 211.4
[M+Na-2H]- 388.879416 164.2
[M]+ 367.90420142 192.9
[M]- 367.90529858 192.9
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