CID 77791
Einecs 223-966-7
Structural Information
- Molecular Formula
- C38H62O3S2
- SMILES
- CCCCCCCCCC1=C(C(=CC(=C1)C)CSCCOCCSCC2=CC(=CC(=C2O)CCCCCCCCC)C)O
- InChI
- InChI=1S/C38H62O3S2/c1-5-7-9-11-13-15-17-19-33-25-31(3)27-35(37(33)39)29-42-23-21-41-22-24-43-30-36-28-32(4)26-34(38(36)40)20-18-16-14-12-10-8-6-2/h25-28,39-40H,5-24,29-30H2,1-4H3
- InChIKey
- ZHEOXZXROVDONK-UHFFFAOYSA-N
- Compound name
- 2-[2-[2-[(2-hydroxy-5-methyl-3-nonylphenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]-4-methyl-6-nonylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 631.42134 | 254.6 |
[M+Na]+ | 653.40328 | 253.7 |
[M-H]- | 629.40678 | 254.3 |
[M+NH4]+ | 648.44788 | 256.2 |
[M+K]+ | 669.37722 | 242.7 |
[M+H-H2O]+ | 613.41132 | 243.7 |
[M+HCOO]- | 675.41226 | 257.7 |
[M+CH3COO]- | 689.42791 | 266.2 |
[M+Na-2H]- | 651.38873 | 243.3 |
[M]+ | 630.41351 | 267.1 |
[M]- | 630.41461 | 267.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.