CID 2787469

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C16H11ClF3NO3
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C16H11ClF3NO3/c17-10-6-5-9(16(18,19)20)7-11(10)21-15(22)14-8-23-12-3-1-2-4-13(12)24-14/h1-7,14H,8H2,(H,21,22)
InChIKey
GVAJBJZQSQGOFB-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

357.03796 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04524 178.8
[M+Na]+ 380.02718 189.5
[M+NH4]+ 375.07178 184.2
[M+K]+ 396.00112 183.8
[M-H]- 356.03068 180.6
[M+Na-2H]- 378.01263 182.6
[M]+ 357.03741 180.9
[M]- 357.03851 180.9
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