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]+ 257.01718 148.0
[M+Na]+ 278.99912 159.2
[M-H]- 255.00262 154.5
[M+NH4]+ 274.04372 168.9
[M+K]+ 294.97306 149.0
[M+H-H2O]+ 239.00716 148.1
[M+HCOO]- 301.00810 168.0
[M+CH3COO]- 315.02375 194.3
[M+Na-2H]- 276.98457 152.4
[M]+ 256.00935 168.7
[M]- 256.01045 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.