CID 15430973
(trans,trans)-5-((4'-ethyl(1,1'-bicyclohexyl)-4-yl)-difluormethoxy)-1,2,3-trifluorbenzene
Structural Information
- Molecular Formula
- C21H27F5O
- SMILES
- CCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
- InChI
- InChI=1S/C21H27F5O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(25,26)27-17-11-18(22)20(24)19(23)12-17/h11-16H,2-10H2,1H3
- InChIKey
- QDQBCDLRUZIZSB-UHFFFAOYSA-N
- Compound name
- 5-[[4-(4-ethylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.20548 | 194.5 |
[M+Na]+ | 413.18742 | 198.6 |
[M-H]- | 389.19092 | 195.9 |
[M+NH4]+ | 408.23202 | 205.5 |
[M+K]+ | 429.16136 | 192.4 |
[M+H-H2O]+ | 373.19546 | 181.3 |
[M+HCOO]- | 435.19640 | 202.2 |
[M+CH3COO]- | 449.21205 | 222.8 |
[M+Na-2H]- | 411.17287 | 189.0 |
[M]+ | 390.19765 | 181.8 |
[M]- | 390.19875 | 181.8 |
Literature stripe
No literature data available for this compound.