CID 4460859

N-(2h-1,3-benzodioxol-5-yl)-2,2,2-trichloroacetamide

Structural Information

Molecular Formula
C9H6Cl3NO3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H6Cl3NO3/c10-9(11,12)8(14)13-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4H2,(H,13,14)
InChIKey
GAULYCGLVIRDHI-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.94858 158.2
[M+Na]+ 303.93052 167.3
[M-H]- 279.93402 162.3
[M+NH4]+ 298.97512 175.2
[M+K]+ 319.90446 164.4
[M+H-H2O]+ 263.93856 155.1
[M+HCOO]- 325.93950 163.9
[M+CH3COO]- 339.95515 194.2
[M+Na-2H]- 301.91597 164.2
[M]+ 280.94075 162.5
[M]- 280.94185 162.5
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.