CID 3071902

Brn 5445447

Structural Information

Molecular Formula
C14H10BrClO4
SMILES
CCOC(=O)/C(=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)Cl)/Br
InChI
InChI=1S/C14H10BrClO4/c1-2-19-14(18)12(15)13-10(17)7-11(20-13)8-3-5-9(16)6-4-8/h3-7H,2H2,1H3/b13-12-
InChIKey
SNFLXVKRZZDMIL-SEYXRHQNSA-N
Compound name
ethyl (2Z)-2-bromo-2-[5-(4-chlorophenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.9451 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.95238 171.4
[M+Na]+ 378.93432 183.7
[M-H]- 354.93782 181.6
[M+NH4]+ 373.97892 189.5
[M+K]+ 394.90826 172.2
[M+H-H2O]+ 338.94236 171.9
[M+HCOO]- 400.94330 186.8
[M+CH3COO]- 414.95895 204.6
[M+Na-2H]- 376.91977 173.1
[M]+ 355.94455 194.2
[M]- 355.94565 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.