CID 60643994

1-(5-bromo-2-isopropoxyphenyl)ethanone

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC(C)OC1=C(C=C(C=C1)Br)C(=O)C
InChI
InChI=1S/C11H13BrO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3
InChIKey
QABBMRUCSXZSBD-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0099 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.017176 148.0
[M+Na]+ 278.999118 159.2
[M-H]- 255.002624 154.5
[M+NH4]+ 274.043723 168.9
[M+K]+ 294.973058 149.0
[M+H-H2O]+ 239.007160 148.1
[M+HCOO]- 301.008101 168.0
[M+CH3COO]- 315.023751 194.3
[M+Na-2H]- 276.984566 152.4
[M]+ 256.00935142 168.7
[M]- 256.01044858 168.7
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.