CID 22194

Nissol

Structural Information

Molecular Formula
C13H12FNO
SMILES
CN(C1=CC=CC2=CC=CC=C21)C(=O)CF
InChI
InChI=1S/C13H12FNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKey
ADRPZEYTIFWCBC-UHFFFAOYSA-N
Compound name
2-fluoro-N-methyl-N-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3319
Patents

217.09029 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09757 145.6
[M+Na]+ 240.07951 153.0
[M-H]- 216.08301 150.1
[M+NH4]+ 235.12411 165.4
[M+K]+ 256.05345 150.6
[M+H-H2O]+ 200.08755 137.9
[M+HCOO]- 262.08849 168.6
[M+CH3COO]- 276.10414 194.3
[M+Na-2H]- 238.06496 152.0
[M]+ 217.08974 145.5
[M]- 217.09084 145.5
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