CID 3271346

622805-19-0

Structural Information

Molecular Formula
C19H14F3NO3
SMILES
COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C19H14F3NO3/c1-25-16-9-5-4-8-14(16)23-18(24)17-11-10-15(26-17)12-6-2-3-7-13(12)19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKey
QRHOYIARIXENRS-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09988 180.7
[M+Na]+ 384.08182 188.8
[M-H]- 360.08532 188.0
[M+NH4]+ 379.12642 193.2
[M+K]+ 400.05576 185.2
[M+H-H2O]+ 344.08986 170.1
[M+HCOO]- 406.09080 200.6
[M+CH3COO]- 420.10645 214.6
[M+Na-2H]- 382.06727 182.9
[M]+ 361.09205 179.9
[M]- 361.09315 179.9
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.