CID 165502666

En300-1456002

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]+ 229.06261 149.6
[M+Na]+ 251.04455 158.8
[M-H]- 227.04805 154.2
[M+NH4]+ 246.08915 169.5
[M+K]+ 267.01849 156.6
[M+H-H2O]+ 211.05259 145.7
[M+HCOO]- 273.05353 167.3
[M+CH3COO]- 287.06918 185.8
[M+Na-2H]- 249.03000 154.0
[M]+ 228.05478 155.4
[M]- 228.05588 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.