CID 591003

349415-13-0

Structural Information

Molecular Formula
C15H10F3NO3
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3NO3/c16-15(17,18)10-2-1-3-11(7-10)19-14(20)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H,19,20)
InChIKey
QKETVCKOOVNOIY-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.06128 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06856 165.2
[M+Na]+ 332.05050 173.5
[M-H]- 308.05400 170.6
[M+NH4]+ 327.09510 179.6
[M+K]+ 348.02444 171.6
[M+H-H2O]+ 292.05854 156.3
[M+HCOO]- 354.05948 182.6
[M+CH3COO]- 368.07513 203.8
[M+Na-2H]- 330.03595 170.7
[M]+ 309.06073 163.2
[M]- 309.06183 163.2
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.