CID 134241696
Tfpo-cf2-2hitft
Structural Information
- Molecular Formula
- C36H24F8O
- SMILES
- CCC1CC2=C(C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C5=CC(=C(C(=C5)F)C(OC6=CC(=C(C(=C6)F)F)F)(F)F)F)F
- InChI
- InChI=1S/C36H24F8O/c1-2-19-11-22-7-8-23(13-25(22)12-19)20-3-5-21(6-4-20)24-9-10-28(29(37)14-24)26-15-30(38)34(31(39)16-26)36(43,44)45-27-17-32(40)35(42)33(41)18-27/h3-10,13-19H,2,11-12H2,1H3
- InChIKey
- SEOVPVSJTXEQNN-UHFFFAOYSA-N
- Compound name
- 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-ethyl-2,3-dihydro-1H-indene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 625.17718 | 259.0 |
[M+Na]+ | 647.15912 | 270.0 |
[M-H]- | 623.16262 | 265.8 |
[M+NH4]+ | 642.20372 | 263.1 |
[M+K]+ | 663.13306 | 257.8 |
[M+H-H2O]+ | 607.16716 | 239.5 |
[M+HCOO]- | 669.16810 | 267.1 |
[M+CH3COO]- | 683.18375 | 263.1 |
[M+Na-2H]- | 645.14457 | 247.8 |
[M]+ | 624.16935 | 252.2 |
[M]- | 624.17045 | 252.2 |
Literature stripe
No literature data available for this compound.