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
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 |
Literature stripe
Patent stripe
No patent data available for this compound.