CID 71299789

Methyl (3e)-4-(2-bromophenyl)-2-oxobut-3-enoate

Structural Information

Molecular Formula
C11H9BrO3
SMILES
COC(=O)C(=O)/C=C/C1=CC=CC=C1Br
InChI
InChI=1S/C11H9BrO3/c1-15-11(14)10(13)7-6-8-4-2-3-5-9(8)12/h2-7H,1H3/b7-6+
InChIKey
MHVHIECZNOYHON-VOTSOKGWSA-N
Compound name
methyl (E)-4-(2-bromophenyl)-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9735 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 148.7
[M+Na]+ 290.962718 159.5
[M-H]- 266.966224 154.9
[M+NH4]+ 286.007323 168.7
[M+K]+ 306.936658 148.8
[M+H-H2O]+ 250.970760 148.5
[M+HCOO]- 312.971701 169.3
[M+CH3COO]- 326.987351 192.2
[M+Na-2H]- 288.948166 153.8
[M]+ 267.97295142 168.9
[M]- 267.97404858 168.9
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

No patent data available for this compound.