CID 11183465

(2e)-3-(4-bromophenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1=CC(=CC=C1/C=C/CO)Br
InChI
InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
InChIKey
DLEIRQMIYDUVBY-OWOJBTEDSA-N
Compound name
(E)-3-(4-bromophenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

211.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 137.2
[M+Na]+ 234.972888 148.6
[M-H]- 210.976394 142.3
[M+NH4]+ 230.017493 159.1
[M+K]+ 250.946828 136.7
[M+H-H2O]+ 194.980930 137.9
[M+HCOO]- 256.981871 158.2
[M+CH3COO]- 270.997521 181.0
[M+Na-2H]- 232.958336 145.2
[M]+ 211.98312142 154.9
[M]- 211.98421858 154.9
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