CID 2750001
Tribenzylmethane
Structural Information
- Molecular Formula
- C22H22
- SMILES
- C1=CC=C(C=C1)CC(CC2=CC=CC=C2)CC3=CC=CC=C3
- InChI
- InChI=1S/C22H22/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2
- InChIKey
- LWYFYULAXDMTQV-UHFFFAOYSA-N
- Compound name
- (2-benzyl-3-phenylpropyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.17943 | 170.6 |
[M+Na]+ | 309.16137 | 174.7 |
[M-H]- | 285.16487 | 178.9 |
[M+NH4]+ | 304.20597 | 185.0 |
[M+K]+ | 325.13531 | 168.5 |
[M+H-H2O]+ | 269.16941 | 161.1 |
[M+HCOO]- | 331.17035 | 192.4 |
[M+CH3COO]- | 345.18600 | 181.0 |
[M+Na-2H]- | 307.14682 | 175.4 |
[M]+ | 286.17160 | 168.8 |
[M]- | 286.17270 | 168.8 |