CID 5203773

N-(2-aminoethyl)-4-fluorobenzamide hydrochloride

Structural Information

Molecular Formula
C9H11FN2O
SMILES
C1=CC(=CC=C1C(=O)NCCN)F
InChI
InChI=1S/C9H11FN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey
OTSNCERWNGFUEG-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

182.08554 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.092816 137.3
[M+Na]+ 205.074758 144.0
[M-H]- 181.078264 139.2
[M+NH4]+ 200.119363 156.4
[M+K]+ 221.048698 141.6
[M+H-H2O]+ 165.082800 130.1
[M+HCOO]- 227.083741 161.6
[M+CH3COO]- 241.099391 185.6
[M+Na-2H]- 203.060206 142.4
[M]+ 182.08499142 133.9
[M]- 182.08608858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe