CID 2788353

N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C16H12F3NO3
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C16H12F3NO3/c17-16(18,19)10-5-1-2-6-11(10)20-15(21)14-9-22-12-7-3-4-8-13(12)23-14/h1-8,14H,9H2,(H,20,21)
InChIKey
FPMXJIJHLZLPDQ-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.07693 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08421 170.8
[M+Na]+ 346.06615 177.8
[M-H]- 322.06965 175.4
[M+NH4]+ 341.11075 182.6
[M+K]+ 362.04009 175.8
[M+H-H2O]+ 306.07419 160.2
[M+HCOO]- 368.07513 185.5
[M+CH3COO]- 382.09078 207.5
[M+Na-2H]- 344.05160 177.1
[M]+ 323.07638 166.8
[M]- 323.07748 166.8
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

No patent data available for this compound.