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]+ 208.11322 141.4
[M+Na]+ 230.09516 150.3
[M-H]- 206.09866 147.9
[M+NH4]+ 225.13976 157.2
[M+K]+ 246.06910 147.6
[M+H-H2O]+ 190.10320 134.7
[M+HCOO]- 252.10414 164.7
[M+CH3COO]- 266.11979 191.3
[M+Na-2H]- 228.08061 147.6
[M]+ 207.10539 142.6
[M]- 207.10649 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