CID 121440047

1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide

Structural Information

Molecular Formula
C12H14FNO
SMILES
CNC(=O)C1(CC1)CC2=CC=CC=C2F
InChI
InChI=1S/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)
InChIKey
KIJYNTMPXZUXEI-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.10594 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.113216 141.4
[M+Na]+ 230.095158 150.3
[M-H]- 206.098664 147.9
[M+NH4]+ 225.139763 157.2
[M+K]+ 246.069098 147.6
[M+H-H2O]+ 190.103200 134.7
[M+HCOO]- 252.104141 164.7
[M+CH3COO]- 266.119791 191.3
[M+Na-2H]- 228.080606 147.6
[M]+ 207.10539142 142.6
[M]- 207.10648858 142.6
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

patents stripe