CID 156600045
Ns00114970
Structural Information
- Molecular Formula
- C13H13F13N3
- SMILES
- CCCN1C=[N+](C=N1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C13H13F13N3/c1-2-4-29-7-28(6-27-29)5-3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3/q+1
- InChIKey
- QCNBSNPDMKXQNG-UHFFFAOYSA-N
- Compound name
- 1-propyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,2,4-triazol-4-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 459.09746 | 189.4 |
[M+Na]+ | 481.07940 | 198.6 |
[M-H]- | 457.08290 | 175.6 |
[M+NH4]+ | 476.12400 | 195.5 |
[M+K]+ | 497.05334 | 188.8 |
[M+H-H2O]+ | 441.08744 | 175.9 |
[M+HCOO]- | 503.08838 | 186.5 |
[M+CH3COO]- | 517.10403 | 224.9 |
[M+Na-2H]- | 479.06485 | 194.8 |
[M]+ | 458.08963 | 171.0 |
[M]- | 458.09073 | 171.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.