CID 9594

3'-fluoroacetanilide

Structural Information

Molecular Formula
C8H8FNO
SMILES
CC(=O)NC1=CC(=CC=C1)F
InChI
InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey
AQLLDCFUQXGLHM-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

153.05899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 130.0
[M+Na]+ 176.04821 141.5
[M+NH4]+ 171.09281 138.1
[M+K]+ 192.02215 135.5
[M-H]- 152.05171 131.2
[M+Na-2H]- 174.03366 136.8
[M]+ 153.05844 131.7
[M]- 153.05954 131.7
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