CID 16218065

64379-96-0

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)N
InChI
InChI=1S/C9H8FNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H2,11,12)/b5-4+
InChIKey
DKGHNLLBYRFJRC-SNAWJCMRSA-N
Compound name
(E)-3-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 132.0
[M+Na]+ 188.04821 140.0
[M-H]- 164.05171 134.1
[M+NH4]+ 183.09281 152.2
[M+K]+ 204.02215 137.0
[M+H-H2O]+ 148.05625 125.5
[M+HCOO]- 210.05719 155.6
[M+CH3COO]- 224.07284 179.7
[M+Na-2H]- 186.03366 136.9
[M]+ 165.05844 128.7
[M]- 165.05954 128.7
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