CID 11791266

125950-99-4

Structural Information

Molecular Formula
C13H15ClO2
SMILES
CC(C)(C)OC(=O)/C=C/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H15ClO2/c1-13(2,3)16-12(15)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3/b9-6+
InChIKey
BMIKRPUHJWEHQJ-RMKNXTFCSA-N
Compound name
tert-butyl (E)-3-(4-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.07605 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08333 153.0
[M+Na]+ 261.06527 166.0
[M+NH4]+ 256.10987 160.9
[M+K]+ 277.03921 159.1
[M-H]- 237.06877 154.1
[M+Na-2H]- 259.05072 159.1
[M]+ 238.07550 155.5
[M]- 238.07660 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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