CID 13774217

4-bromophenyl acrylate

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C=CC(=O)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H7BrO2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h2-6H,1H2
InChIKey
HWWIOYDCNOHHMH-UHFFFAOYSA-N
Compound name
(4-bromophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

225.96294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 137.8
[M+Na]+ 248.95216 149.6
[M-H]- 224.95566 144.4
[M+NH4]+ 243.99676 159.7
[M+K]+ 264.92610 139.0
[M+H-H2O]+ 208.96020 138.2
[M+HCOO]- 270.96114 159.7
[M+CH3COO]- 284.97679 185.3
[M+Na-2H]- 246.93761 145.2
[M]+ 225.96239 157.4
[M]- 225.96349 157.4
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