CID 30570
21270-08-6
Structural Information
- Molecular Formula
- C20H33BrO
- SMILES
- CCCCCCCCC1=CC=C(C=C1)C(CBr)OCCCC
- InChI
- InChI=1S/C20H33BrO/c1-3-5-7-8-9-10-11-18-12-14-19(15-13-18)20(17-21)22-16-6-4-2/h12-15,20H,3-11,16-17H2,1-2H3
- InChIKey
- YYRCXESEJNIQEI-UHFFFAOYSA-N
- Compound name
- 1-(2-bromo-1-butoxyethyl)-4-octylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 369.17876 | 189.4 |
[M+Na]+ | 391.16070 | 196.0 |
[M-H]- | 367.16420 | 193.7 |
[M+NH4]+ | 386.20530 | 205.8 |
[M+K]+ | 407.13464 | 183.3 |
[M+H-H2O]+ | 351.16874 | 187.5 |
[M+HCOO]- | 413.16968 | 206.9 |
[M+CH3COO]- | 427.18533 | 216.4 |
[M+Na-2H]- | 389.14615 | 190.5 |
[M]+ | 368.17093 | 212.5 |
[M]- | 368.17203 | 212.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.