CID 54676285

Nsc649550

Structural Information

Molecular Formula
C18H9ClF3NO5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)O
InChI
InChI=1S/C18H9ClF3NO5/c19-11-6-5-8(7-10(11)18(20,21)22)23-16(26)15(25)13-14(24)9-3-1-2-4-12(9)28-17(13)27/h1-7,24H,(H,23,26)
InChIKey
HRKSAUQKRCHYCA-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.01215 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.01943 186.0
[M+Na]+ 434.00137 196.7
[M-H]- 410.00487 190.2
[M+NH4]+ 429.04597 196.3
[M+K]+ 449.97531 192.1
[M+H-H2O]+ 394.00941 176.6
[M+HCOO]- 456.01035 197.6
[M+CH3COO]- 470.02600 221.7
[M+Na-2H]- 431.98682 189.1
[M]+ 411.01160 188.0
[M]- 411.01270 188.0
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.