CID 6434871

Cinflumide

Structural Information

Molecular Formula
C12H12FNO
SMILES
C1CC1NC(=O)/C=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C12H12FNO/c13-10-3-1-2-9(8-10)4-7-12(15)14-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)/b7-4+
InChIKey
NCOOUEIQXVWKTO-QPJJXVBHSA-N
Compound name
(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

306
Patents

205.09029 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09757 140.0
[M+Na]+ 228.07951 148.5
[M-H]- 204.08301 146.2
[M+NH4]+ 223.12411 153.9
[M+K]+ 244.05345 144.2
[M+H-H2O]+ 188.08755 132.3
[M+HCOO]- 250.08849 163.8
[M+CH3COO]- 264.10414 190.3
[M+Na-2H]- 226.06496 145.2
[M]+ 205.08974 140.0
[M]- 205.09084 140.0
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.