CID 165502666

Tert-butyl (2e)-3-(5-chlorofuran-2-yl)prop-2-enoate

Structural Information

Molecular Formula
C11H13ClO3
SMILES
CC(C)(C)OC(=O)/C=C/C1=CC=C(O1)Cl
InChI
InChI=1S/C11H13ClO3/c1-11(2,3)15-10(13)7-5-8-4-6-9(12)14-8/h4-7H,1-3H3/b7-5+
InChIKey
WLPOYEJQLIHNGI-FNORWQNLSA-N
Compound name
tert-butyl (E)-3-(5-chlorofuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05533 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.062606 149.6
[M+Na]+ 251.044548 158.8
[M-H]- 227.048054 154.2
[M+NH4]+ 246.089153 169.5
[M+K]+ 267.018488 156.6
[M+H-H2O]+ 211.052590 145.7
[M+HCOO]- 273.053531 167.3
[M+CH3COO]- 287.069181 185.8
[M+Na-2H]- 249.029996 154.0
[M]+ 228.05478142 155.4
[M]- 228.05587858 155.4
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.