CID 43600123

N-(5-amino-2-fluorophenyl)prop-2-enamide

Structural Information

Molecular Formula
C9H9FN2O
SMILES
C=CC(=O)NC1=C(C=CC(=C1)N)F
InChI
InChI=1S/C9H9FN2O/c1-2-9(13)12-8-5-6(11)3-4-7(8)10/h2-5H,1,11H2,(H,12,13)
InChIKey
QIKIAJNORQVISB-UHFFFAOYSA-N
Compound name
N-(5-amino-2-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

180.06989 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07717 137.1
[M+Na]+ 203.05911 147.2
[M+NH4]+ 198.10371 144.0
[M+K]+ 219.03305 141.8
[M-H]- 179.06261 138.0
[M+Na-2H]- 201.04456 142.4
[M]+ 180.06934 138.4
[M]- 180.07044 138.4
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