CID 134241699
Tfpo-cf2-3hitft
Structural Information
- Molecular Formula
- C37H26F8O
- SMILES
- CCCC1CC2=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/C37H26F8O/c1-2-3-20-12-23-8-9-24(14-26(23)13-20)21-4-6-22(7-5-21)25-10-11-29(30(38)15-25)27-16-31(39)35(32(40)17-27)37(44,45)46-28-18-33(41)36(43)34(42)19-28/h4-11,14-20H,2-3,12-13H2,1H3
- InChIKey
- RPECZCYGIZYQHF-UHFFFAOYSA-N
- Compound name
- 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 639.19288 | 263.4 |
[M+Na]+ | 661.17482 | 273.9 |
[M-H]- | 637.17832 | 269.9 |
[M+NH4]+ | 656.21942 | 266.8 |
[M+K]+ | 677.14876 | 261.6 |
[M+H-H2O]+ | 621.18286 | 243.7 |
[M+HCOO]- | 683.18380 | 271.1 |
[M+CH3COO]- | 697.19945 | 267.0 |
[M+Na-2H]- | 659.16027 | 251.7 |
[M]+ | 638.18505 | 256.9 |
[M]- | 638.18615 | 256.9 |
Literature stripe
No literature data available for this compound.