CID 2776390
Trifluoro-1,3,5-tris(trifluoromethyl)benzene
Structural Information
- Molecular Formula
- C9F12
- SMILES
- C1(=C(C(=C(C(=C1F)C(F)(F)F)F)C(F)(F)F)F)C(F)(F)F
- InChI
- InChI=1S/C9F12/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18
- InChIKey
- QWZHVIDXHYBBDU-UHFFFAOYSA-N
- Compound name
- 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 336.98811 | 159.6 |
[M+Na]+ | 358.97005 | 173.4 |
[M-H]- | 334.97355 | 150.4 |
[M+NH4]+ | 354.01465 | 173.7 |
[M+K]+ | 374.94399 | 167.9 |
[M+H-H2O]+ | 318.97809 | 145.7 |
[M+HCOO]- | 380.97903 | 166.2 |
[M+CH3COO]- | 394.99468 | 211.6 |
[M+Na-2H]- | 356.95550 | 159.1 |
[M]+ | 335.98028 | 143.4 |
[M]- | 335.98138 | 143.4 |