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

33
Patents

180.06989 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.077166 136.0
[M+Na]+ 203.059108 144.0
[M-H]- 179.062614 138.3
[M+NH4]+ 198.103713 155.4
[M+K]+ 219.033048 140.9
[M+H-H2O]+ 163.067150 129.1
[M+HCOO]- 225.068091 160.5
[M+CH3COO]- 239.083741 185.9
[M+Na-2H]- 201.044556 140.4
[M]+ 180.06934142 132.3
[M]- 180.07043858 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