CID 122921
1,4-diphenylcyclohexane-1,4-diol
Structural Information
- Molecular Formula
- C18H20O2
- SMILES
- C1CC(CCC1(C2=CC=CC=C2)O)(C3=CC=CC=C3)O
- InChI
- InChI=1S/C18H20O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-10,19-20H,11-14H2
- InChIKey
- USAODBZLWPXYON-UHFFFAOYSA-N
- Compound name
- 1,4-diphenylcyclohexane-1,4-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.15361 | 165.3 |
[M+Na]+ | 291.13555 | 170.6 |
[M-H]- | 267.13905 | 172.0 |
[M+NH4]+ | 286.18015 | 183.4 |
[M+K]+ | 307.10949 | 165.7 |
[M+H-H2O]+ | 251.14359 | 157.6 |
[M+HCOO]- | 313.14453 | 182.9 |
[M+CH3COO]- | 327.16018 | 175.7 |
[M+Na-2H]- | 289.12100 | 170.9 |
[M]+ | 268.14578 | 159.2 |
[M]- | 268.14688 | 159.2 |