CID 83394
13385-20-1
Structural Information
- Molecular Formula
- C43H42O8P2
- SMILES
- CC1=CC=CC=C1OP(=O)(OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OP(=O)(OC4=CC=CC=C4C)OC5=CC=CC=C5C)OC6=CC=CC=C6C
- InChI
- InChI=1S/C43H42O8P2/c1-31-15-7-11-19-39(31)48-52(44,49-40-20-12-8-16-32(40)2)46-37-27-23-35(24-28-37)43(5,6)36-25-29-38(30-26-36)47-53(45,50-41-21-13-9-17-33(41)3)51-42-22-14-10-18-34(42)4/h7-30H,1-6H3
- InChIKey
- BXYCHPONLSDFMX-UHFFFAOYSA-N
- Compound name
- [4-[2-[4-bis(2-methylphenoxy)phosphoryloxyphenyl]propan-2-yl]phenyl] bis(2-methylphenyl) phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 749.24278 | 280.4 |
[M+Na]+ | 771.22472 | 279.2 |
[M-H]- | 747.22822 | 293.6 |
[M+NH4]+ | 766.26932 | 274.2 |
[M+K]+ | 787.19866 | 279.2 |
[M+H-H2O]+ | 731.23276 | 257.8 |
[M+HCOO]- | 793.23370 | 302.2 |
[M+CH3COO]- | 807.24935 | 285.2 |
[M+Na-2H]- | 769.21017 | 275.9 |
[M]+ | 748.23495 | 284.8 |
[M]- | 748.23605 | 284.8 |
Literature stripe
No literature data available for this compound.