CID 44426086

Chembl230477

Structural Information

Molecular Formula
C10H10FNO
SMILES
CC(=O)N/C=C/C1=CC=C(C=C1)F
InChI
InChI=1S/C10H10FNO/c1-8(13)12-7-6-9-2-4-10(11)5-3-9/h2-7H,1H3,(H,12,13)/b7-6+
InChIKey
LGHVZLQRJXDXHW-VOTSOKGWSA-N
Compound name
N-[(E)-2-(4-fluorophenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

179.07465 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 136.3
[M+Na]+ 202.06387 143.9
[M-H]- 178.06737 138.8
[M+NH4]+ 197.10847 156.2
[M+K]+ 218.03781 141.0
[M+H-H2O]+ 162.07191 129.5
[M+HCOO]- 224.07285 160.2
[M+CH3COO]- 238.08850 182.7
[M+Na-2H]- 200.04932 141.8
[M]+ 179.07410 134.3
[M]- 179.07520 134.3
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.