CID 1268029

477334-60-4

Structural Information

Molecular Formula
C16H15BrO4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C16H15BrO4/c1-20-12-8-14(19)16(15(9-12)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,19H,7H2,1-2H3
InChIKey
UYYVLBUXWSTNAG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.01538 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02266 170.2
[M+Na]+ 373.00460 181.1
[M-H]- 349.00810 178.4
[M+NH4]+ 368.04920 186.6
[M+K]+ 388.97854 170.0
[M+H-H2O]+ 333.01264 168.7
[M+HCOO]- 395.01358 189.6
[M+CH3COO]- 409.02923 207.2
[M+Na-2H]- 370.99005 173.6
[M]+ 350.01483 192.3
[M]- 350.01593 192.3
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.