CID 6434366

3-fluoro-n-(2-hydroxyethyl)cinnamamide

Structural Information

Molecular Formula
C11H12FNO2
SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)NCCO
InChI
InChI=1S/C11H12FNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+
InChIKey
ZICDDQOPRQSIRB-SNAWJCMRSA-N
Compound name
(E)-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.0852 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 144.6
[M+Na]+ 232.07442 151.2
[M-H]- 208.07792 145.4
[M+NH4]+ 227.11902 162.5
[M+K]+ 248.04836 147.7
[M+H-H2O]+ 192.08246 137.6
[M+HCOO]- 254.08340 166.9
[M+CH3COO]- 268.09905 185.3
[M+Na-2H]- 230.05987 149.0
[M]+ 209.08465 142.5
[M]- 209.08575 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.