CID 379168

Nsc663580

Structural Information

Molecular Formula
C27H29O3PS
SMILES
C=CCCC1(OCCO1)CC(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4
InChI
InChI=1S/C27H29O3PS/c1-2-3-19-27(29-20-21-30-27)22-26(32-25-17-11-6-12-18-25)31(28,23-13-7-4-8-14-23)24-15-9-5-10-16-24/h2,4-18,26H,1,3,19-22H2
InChIKey
IXPNUUDYPSCIGN-UHFFFAOYSA-N
Compound name
2-but-3-enyl-2-(2-diphenylphosphoryl-2-phenylsulfanylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1575 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.16478 214.4
[M+Na]+ 487.14672 217.2
[M-H]- 463.15022 225.5
[M+NH4]+ 482.19132 223.3
[M+K]+ 503.12066 214.0
[M+H-H2O]+ 447.15476 203.0
[M+HCOO]- 509.15570 232.4
[M+CH3COO]- 523.17135 228.9
[M+Na-2H]- 485.13217 211.5
[M]+ 464.15695 216.0
[M]- 464.15805 216.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.