CID 340145

Nsc369984

Structural Information

Molecular Formula
C13H9Cl3N2O4
SMILES
CC(=O)NC1=CC2=C(C=CC(=C2)NC(=O)C(Cl)(Cl)Cl)OC1=O
InChI
InChI=1S/C13H9Cl3N2O4/c1-6(19)17-9-5-7-4-8(18-12(21)13(14,15)16)2-3-10(7)22-11(9)20/h2-5H,1H3,(H,17,19)(H,18,21)
InChIKey
BAQIJFQPCYAKPR-UHFFFAOYSA-N
Compound name
N-(3-acetamido-2-oxochromen-6-yl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.9628 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.97008 173.9
[M+Na]+ 384.95202 183.6
[M-H]- 360.95552 178.3
[M+NH4]+ 379.99662 187.6
[M+K]+ 400.92596 179.5
[M+H-H2O]+ 344.96006 170.3
[M+HCOO]- 406.96100 181.2
[M+CH3COO]- 420.97665 213.4
[M+Na-2H]- 382.93747 179.0
[M]+ 361.96225 180.1
[M]- 361.96335 180.1
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.