CID 24709655

N-(3-aminopropyl)-3-fluorobenzamide hydrochloride

Structural Information

Molecular Formula
C10H13FN2O
SMILES
C1=CC(=CC(=C1)F)C(=O)NCCCN
InChI
InChI=1S/C10H13FN2O/c11-9-4-1-3-8(7-9)10(14)13-6-2-5-12/h1,3-4,7H,2,5-6,12H2,(H,13,14)
InChIKey
BMPOXPIXLUZIQQ-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.1012 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.108476 141.9
[M+Na]+ 219.090418 148.2
[M-H]- 195.093924 143.6
[M+NH4]+ 214.135023 160.4
[M+K]+ 235.064358 145.5
[M+H-H2O]+ 179.098460 134.5
[M+HCOO]- 241.099401 165.9
[M+CH3COO]- 255.115051 188.6
[M+Na-2H]- 217.075866 146.5
[M]+ 196.10065142 138.9
[M]- 196.10174858 138.9
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.