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]+ 197.10848 141.9
[M+Na]+ 219.09042 148.2
[M-H]- 195.09392 143.6
[M+NH4]+ 214.13502 160.4
[M+K]+ 235.06436 145.5
[M+H-H2O]+ 179.09846 134.5
[M+HCOO]- 241.09940 165.9
[M+CH3COO]- 255.11505 188.6
[M+Na-2H]- 217.07587 146.5
[M]+ 196.10065 138.9
[M]- 196.10175 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.