CID 102330282
Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate
Structural Information
- Molecular Formula
- C11H11F9O3S
- SMILES
- C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C11H11F9O3S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(21,22)23-7-5-3-1-2-4-6-7/h5H,1-4,6H2
- InChIKey
- ZECNIRGDHSDXDI-UHFFFAOYSA-N
- Compound name
- cyclohepten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 395.03581 | 155.8 |
[M+Na]+ | 417.01775 | 160.0 |
[M-H]- | 393.02125 | 149.0 |
[M+NH4]+ | 412.06235 | 165.6 |
[M+K]+ | 432.99169 | 162.4 |
[M+H-H2O]+ | 377.02579 | 144.7 |
[M+HCOO]- | 439.02673 | 156.3 |
[M+CH3COO]- | 453.04238 | 213.4 |
[M+Na-2H]- | 415.00320 | 159.4 |
[M]+ | 394.02798 | 141.9 |
[M]- | 394.02908 | 141.9 |
Literature stripe
Patent stripe
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