CID 694612

N-(4-fluorophenyl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C16H10FNO3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C16H10FNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKey
NBXFKAVYIKTFOG-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

283.06448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07176 160.3
[M+Na]+ 306.05370 169.7
[M-H]- 282.05720 168.0
[M+NH4]+ 301.09830 175.4
[M+K]+ 322.02764 166.3
[M+H-H2O]+ 266.06174 151.2
[M+HCOO]- 328.06268 182.7
[M+CH3COO]- 342.07833 201.9
[M+Na-2H]- 304.03915 167.6
[M]+ 283.06393 161.0
[M]- 283.06503 161.0
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