CID 21947418

Chembl246086

Structural Information

Molecular Formula
C14H14FNO4
SMILES
CC1(O/C(=C\C(=O)NCC2=CC=C(C=C2)F)/C(=O)O1)C
InChI
InChI=1S/C14H14FNO4/c1-14(2)19-11(13(18)20-14)7-12(17)16-8-9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H,16,17)/b11-7-
InChIKey
QIFKQZCKYCXYEO-XFFZJAGNSA-N
Compound name
(2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-[(4-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

279.0907 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09798 160.5
[M+Na]+ 302.07992 168.6
[M-H]- 278.08342 167.7
[M+NH4]+ 297.12452 177.5
[M+K]+ 318.05386 167.7
[M+H-H2O]+ 262.08796 154.1
[M+HCOO]- 324.08890 181.3
[M+CH3COO]- 338.10455 199.0
[M+Na-2H]- 300.06537 163.9
[M]+ 279.09015 161.4
[M]- 279.09125 161.4
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