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]+ 255.00153 148.7
[M+Na]+ 276.98347 158.9
[M-H]- 252.98697 153.5
[M+NH4]+ 272.02807 168.6
[M+K]+ 292.95741 147.2
[M+H-H2O]+ 236.99151 148.8
[M+HCOO]- 298.99245 167.5
[M+CH3COO]- 313.00810 189.3
[M+Na-2H]- 274.96892 153.1
[M]+ 253.99370 166.5
[M]- 253.99480 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.