CID 11459122

2-(4-bromophenyl)pent-4-en-2-ol

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC(CC=C)(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C11H13BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7,13H,1,8H2,2H3
InChIKey
NSJCWZRCICHXDA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)pent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.01498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 147.2
[M+Na]+ 263.004198 158.2
[M-H]- 239.007704 152.2
[M+NH4]+ 258.048803 168.1
[M+K]+ 278.978138 146.1
[M+H-H2O]+ 223.012240 148.0
[M+HCOO]- 285.013181 166.0
[M+CH3COO]- 299.028831 187.6
[M+Na-2H]- 260.989646 154.6
[M]+ 240.01443142 165.2
[M]- 240.01552858 165.2
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

patents stripe