CID 2887328

N-((acryloylamino)(4-fluorophenyl)methyl)acrylamide

Structural Information

Molecular Formula
C13H13FN2O2
SMILES
C=CC(=O)NC(C1=CC=C(C=C1)F)NC(=O)C=C
InChI
InChI=1S/C13H13FN2O2/c1-3-11(17)15-13(16-12(18)4-2)9-5-7-10(14)8-6-9/h3-8,13H,1-2H2,(H,15,17)(H,16,18)
InChIKey
CIMFBENGVSWKNS-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0961 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10338 155.6
[M+Na]+ 271.08532 161.0
[M-H]- 247.08882 157.6
[M+NH4]+ 266.12992 171.9
[M+K]+ 287.05926 157.7
[M+H-H2O]+ 231.09336 147.8
[M+HCOO]- 293.09430 178.1
[M+CH3COO]- 307.10995 199.0
[M+Na-2H]- 269.07077 157.2
[M]+ 248.09555 152.6
[M]- 248.09665 152.6
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.