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]+ 353.074356 175.8
[M+Na]+ 375.056298 183.4
[M-H]- 351.059804 182.3
[M+NH4]+ 370.100903 188.7
[M+K]+ 391.030238 182.2
[M+H-H2O]+ 335.064340 165.9
[M+HCOO]- 397.065281 195.7
[M+CH3COO]- 411.080931 214.5
[M+Na-2H]- 373.041746 181.9
[M]+ 352.06653142 175.9
[M]- 352.06762858 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.