CID 874783

853347-64-5

Structural Information

Molecular Formula
C17H16FNO2
SMILES
CCOC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C17H16FNO2/c1-2-21-16-10-8-15(9-11-16)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+
InChIKey
CCYDRVQORPGDRH-LFYBBSHMSA-N
Compound name
(E)-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11652 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12380 165.4
[M+Na]+ 308.10574 172.1
[M-H]- 284.10924 170.6
[M+NH4]+ 303.15034 180.7
[M+K]+ 324.07968 167.4
[M+H-H2O]+ 268.11378 156.3
[M+HCOO]- 330.11472 188.5
[M+CH3COO]- 344.13037 202.8
[M+Na-2H]- 306.09119 168.9
[M]+ 285.11597 165.1
[M]- 285.11707 165.1
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.