CID 3440774

519004-35-4

Structural Information

Molecular Formula
C9H8FNO
SMILES
C=CC(=O)NC1=CC(=CC=C1)F
InChI
InChI=1S/C9H8FNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1H2,(H,11,12)
InChIKey
VUJVAXXKUPXVPM-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

165.05899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 131.4
[M+Na]+ 188.048208 139.3
[M-H]- 164.051714 134.0
[M+NH4]+ 183.092813 151.8
[M+K]+ 204.022148 136.7
[M+H-H2O]+ 148.056250 124.8
[M+HCOO]- 210.057191 155.6
[M+CH3COO]- 224.072841 180.3
[M+Na-2H]- 186.033656 137.4
[M]+ 165.05844142 129.1
[M]- 165.05953858 129.1
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