CID 2782570
510768-12-4
Structural Information
- Molecular Formula
- C15H7F13N2
- SMILES
- C1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C15H7F13N2/c16-10(17,9-6-8(29-30-9)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-6H,(H,29,30)
- InChIKey
- VMNRZBDGGQYZPX-UHFFFAOYSA-N
- Compound name
- 3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 463.04744 | 192.0 |
[M+Na]+ | 485.02938 | 201.3 |
[M-H]- | 461.03288 | 180.6 |
[M+NH4]+ | 480.07398 | 198.2 |
[M+K]+ | 501.00332 | 194.4 |
[M+H-H2O]+ | 445.03742 | 175.5 |
[M+HCOO]- | 507.03836 | 189.4 |
[M+CH3COO]- | 521.05401 | 227.6 |
[M+Na-2H]- | 483.01483 | 194.3 |
[M]+ | 462.03961 | 171.7 |
[M]- | 462.04071 | 171.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.