CID 3033176

60548-33-6

Structural Information

Molecular Formula
C14H16FNO
SMILES
C/C(=C(/C)\C(=O)NCC=C)/C1=CC=C(C=C1)F
InChI
InChI=1S/C14H16FNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h4-8H,1,9H2,2-3H3,(H,16,17)/b11-10+
InChIKey
KLVNOTXOIZUNRN-ZHACJKMWSA-N
Compound name
(E)-3-(4-fluorophenyl)-2-methyl-N-prop-2-enylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.1216 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12888 154.0
[M+Na]+ 256.11082 159.6
[M-H]- 232.11432 155.9
[M+NH4]+ 251.15542 171.5
[M+K]+ 272.08476 156.2
[M+H-H2O]+ 216.11886 146.7
[M+HCOO]- 278.11980 174.7
[M+CH3COO]- 292.13545 195.8
[M+Na-2H]- 254.09627 154.8
[M]+ 233.12105 151.4
[M]- 233.12215 151.4
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.