CID 43616264

N-(3,5-difluorophenyl)prop-2-enamide

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C=CC(=O)NC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C9H7F2NO/c1-2-9(13)12-8-4-6(10)3-7(11)5-8/h2-5H,1H2,(H,12,13)
InChIKey
GEWSUIBJGONZMO-UHFFFAOYSA-N
Compound name
N-(3,5-difluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04958 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05686 133.5
[M+Na]+ 206.03880 142.5
[M-H]- 182.04230 135.1
[M+NH4]+ 201.08340 153.4
[M+K]+ 222.01274 139.4
[M+H-H2O]+ 166.04684 126.2
[M+HCOO]- 228.04778 156.7
[M+CH3COO]- 242.06343 184.3
[M+Na-2H]- 204.02425 138.3
[M]+ 183.04903 130.5
[M]- 183.05013 130.5
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

patents stripe