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]+ 184.056856 133.5
[M+Na]+ 206.038798 142.5
[M-H]- 182.042304 135.1
[M+NH4]+ 201.083403 153.4
[M+K]+ 222.012738 139.4
[M+H-H2O]+ 166.046840 126.2
[M+HCOO]- 228.047781 156.7
[M+CH3COO]- 242.063431 184.3
[M+Na-2H]- 204.024246 138.3
[M]+ 183.04903142 130.5
[M]- 183.05012858 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