CID 6433401

Cinnamic acid, 2-fluoroethyl ester

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OCCF
InChI
InChI=1S/C11H11FO2/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2/b7-6+
InChIKey
ICINRXQSNJZVLB-VOTSOKGWSA-N
Compound name
2-fluoroethyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07431 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 140.5
[M+Na]+ 217.06353 147.5
[M-H]- 193.06703 142.4
[M+NH4]+ 212.10813 159.8
[M+K]+ 233.03747 145.0
[M+H-H2O]+ 177.07157 133.5
[M+HCOO]- 239.07251 163.2
[M+CH3COO]- 253.08816 181.8
[M+Na-2H]- 215.04898 145.8
[M]+ 194.07376 140.6
[M]- 194.07486 140.6
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.