CID 46937112

2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid

Structural Information

Molecular Formula
C20H10F7NO4
SMILES
C1C=CC(=C1C(=O)O)C(=O)NC2=C(C(=C(C(=C2F)F)C3=CC(=CC=C3)OC(F)(F)F)F)F
InChI
InChI=1S/C20H10F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1-5,7H,6H2,(H,28,29)(H,30,31)
InChIKey
ULMUPVXFUDHRGH-UHFFFAOYSA-N
Compound name
2-[[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopenta-1,3-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.0498 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.05708 197.5
[M+Na]+ 484.03902 207.8
[M-H]- 460.04252 198.6
[M+NH4]+ 479.08362 206.8
[M+K]+ 500.01296 201.6
[M+H-H2O]+ 444.04706 184.0
[M+HCOO]- 506.04800 211.2
[M+CH3COO]- 520.06365 233.4
[M+Na-2H]- 482.02447 192.2
[M]+ 461.04925 191.6
[M]- 461.05035 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.