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

34
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 136.0
[M+Na]+ 203.05911 144.0
[M-H]- 179.06261 138.3
[M+NH4]+ 198.10371 155.4
[M+K]+ 219.03305 140.9
[M+H-H2O]+ 163.06715 129.1
[M+HCOO]- 225.06809 160.5
[M+CH3COO]- 239.08374 185.9
[M+Na-2H]- 201.04456 140.4
[M]+ 180.06934 132.3
[M]- 180.07044 132.3
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