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]+ 195.081586 140.5
[M+Na]+ 217.063528 147.5
[M-H]- 193.067034 142.4
[M+NH4]+ 212.108133 159.8
[M+K]+ 233.037468 145.0
[M+H-H2O]+ 177.071570 133.5
[M+HCOO]- 239.072511 163.2
[M+CH3COO]- 253.088161 181.8
[M+Na-2H]- 215.048976 145.8
[M]+ 194.07376142 140.6
[M]- 194.07485858 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.