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]+ 268.98078 148.7
[M+Na]+ 290.96272 159.5
[M-H]- 266.96622 154.9
[M+NH4]+ 286.00732 168.7
[M+K]+ 306.93666 148.8
[M+H-H2O]+ 250.97076 148.5
[M+HCOO]- 312.97170 169.3
[M+CH3COO]- 326.98735 192.2
[M+Na-2H]- 288.94817 153.8
[M]+ 267.97295 168.9
[M]- 267.97405 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.