CID 9639103

5-(((((3-(trifluoromethyl)anilino)carbonyl)oxy)imino)methyl)-1,3-benzodioxole

Structural Information

Molecular Formula
C16H11F3N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/OC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2O4/c17-16(18,19)11-2-1-3-12(7-11)21-15(22)25-20-8-10-4-5-13-14(6-10)24-9-23-13/h1-8H,9H2,(H,21,22)/b20-8+
InChIKey
FEVYHBSOTRXUOY-DNTJNYDQSA-N
Compound name
[(E)-1,3-benzodioxol-5-ylmethylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.06708 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07436 175.8
[M+Na]+ 375.05630 183.4
[M-H]- 351.05980 182.3
[M+NH4]+ 370.10090 188.7
[M+K]+ 391.03024 182.2
[M+H-H2O]+ 335.06434 165.9
[M+HCOO]- 397.06528 195.7
[M+CH3COO]- 411.08093 214.5
[M+Na-2H]- 373.04175 181.9
[M]+ 352.06653 175.9
[M]- 352.06763 175.9
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.