CID 341750

2-amino-3-fluoro-3-phenylpropanamide

Structural Information

Molecular Formula
C9H11FN2O
SMILES
C1=CC=C(C=C1)C(C(C(=O)N)N)F
InChI
InChI=1S/C9H11FN2O/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H2,12,13)
InChIKey
BSQAAMJFMNZUMZ-UHFFFAOYSA-N
Compound name
2-amino-3-fluoro-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08554 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09282 138.9
[M+Na]+ 205.07476 144.1
[M-H]- 181.07826 140.0
[M+NH4]+ 200.11936 157.1
[M+K]+ 221.04870 142.3
[M+H-H2O]+ 165.08280 131.6
[M+HCOO]- 227.08374 160.6
[M+CH3COO]- 241.09939 186.3
[M+Na-2H]- 203.06021 141.1
[M]+ 182.08499 132.9
[M]- 182.08609 132.9
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

No patent data available for this compound.