CID 16776081

N-[3-(aminomethyl)phenyl]-3-fluorobenzamide

Structural Information

Molecular Formula
C14H13FN2O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)F)CN
InChI
InChI=1S/C14H13FN2O/c15-12-5-2-4-11(8-12)14(18)17-13-6-1-3-10(7-13)9-16/h1-8H,9,16H2,(H,17,18)
InChIKey
MWIWZKMAVINMGM-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10848 153.5
[M+Na]+ 267.09042 160.4
[M-H]- 243.09392 158.7
[M+NH4]+ 262.13502 170.0
[M+K]+ 283.06436 156.1
[M+H-H2O]+ 227.09846 144.9
[M+HCOO]- 289.09940 177.7
[M+CH3COO]- 303.11505 197.6
[M+Na-2H]- 265.07587 158.0
[M]+ 244.10065 149.9
[M]- 244.10175 149.9
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.