CID 5290668

1-(4-bromophenyl)-3-hydroxypent-2-en-1-one

Structural Information

Molecular Formula
C11H11BrO2
SMILES
CCC(=O)/C=C(/C1=CC=C(C=C1)Br)\O
InChI
InChI=1S/C11H11BrO2/c1-2-10(13)7-11(14)8-3-5-9(12)6-4-8/h3-7,14H,2H2,1H3/b11-7-
InChIKey
WUTPWMKGRHIWFZ-XFFZJAGNSA-N
Compound name
(Z)-1-(4-bromophenyl)-1-hydroxypent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

253.99425 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.001526 148.7
[M+Na]+ 276.983468 158.9
[M-H]- 252.986974 153.5
[M+NH4]+ 272.028073 168.6
[M+K]+ 292.957408 147.2
[M+H-H2O]+ 236.991510 148.8
[M+HCOO]- 298.992451 167.5
[M+CH3COO]- 313.008101 189.3
[M+Na-2H]- 274.968916 153.1
[M]+ 253.99370142 166.5
[M]- 253.99479858 166.5
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

No patent data available for this compound.