CID 689068

332104-54-8

Structural Information

Molecular Formula
C13H8BrClO2
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)O)Cl
InChI
InChI=1S/C13H8BrClO2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,16H
InChIKey
JTYCQJZUXZTAEK-UHFFFAOYSA-N
Compound name
(5-bromo-2-hydroxyphenyl)-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

309.9396 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.94688 156.2
[M+Na]+ 332.92882 169.1
[M-H]- 308.93232 164.6
[M+NH4]+ 327.97342 175.1
[M+K]+ 348.90276 155.5
[M+H-H2O]+ 292.93686 156.7
[M+HCOO]- 354.93780 172.2
[M+CH3COO]- 368.95345 197.2
[M+Na-2H]- 330.91427 161.6
[M]+ 309.93905 176.5
[M]- 309.94015 176.5
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

patents stripe