CID 24212625

853314-86-0

Structural Information

Molecular Formula
C19H13ClF3NO3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C19H13ClF3NO3/c1-26-16-7-6-11(20)10-14(16)24-18(25)17-9-8-15(27-17)12-4-2-3-5-13(12)19(21,22)23/h2-10H,1H3,(H,24,25)
InChIKey
BUCONBBEJLXSDD-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.05362 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06090 188.0
[M+Na]+ 418.04284 197.9
[M-H]- 394.04634 195.5
[M+NH4]+ 413.08744 200.4
[M+K]+ 434.01678 192.5
[M+H-H2O]+ 378.05088 178.1
[M+HCOO]- 440.05182 203.4
[M+CH3COO]- 454.06747 219.4
[M+Na-2H]- 416.02829 189.0
[M]+ 395.05307 190.2
[M]- 395.05417 190.2
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.