CID 1991655
431069-50-0
Structural Information
- Molecular Formula
- C18H15F3N2O2
- SMILES
- CC1=CC=CC=C1C2=C(NN=C2C3=C(C(=C(C=C3)O)C)O)C(F)(F)F
- InChI
- InChI=1S/C18H15F3N2O2/c1-9-5-3-4-6-11(9)14-15(22-23-17(14)18(19,20)21)12-7-8-13(24)10(2)16(12)25/h3-8,24-25H,1-2H3,(H,22,23)
- InChIKey
- FHSYJXOWJGGOOK-UHFFFAOYSA-N
- Compound name
- 2-methyl-4-[4-(2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.11583 | 179.3 |
[M+Na]+ | 371.09777 | 189.9 |
[M-H]- | 347.10127 | 180.4 |
[M+NH4]+ | 366.14237 | 190.2 |
[M+K]+ | 387.07171 | 182.1 |
[M+H-H2O]+ | 331.10581 | 168.9 |
[M+HCOO]- | 393.10675 | 192.7 |
[M+CH3COO]- | 407.12240 | 207.0 |
[M+Na-2H]- | 369.08322 | 178.4 |
[M]+ | 348.10800 | 175.0 |
[M]- | 348.10910 | 175.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.