CID 3034698

Einecs 265-325-4

Structural Information

Molecular Formula
C34H55O4PS2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOP(=S)(OCCOC2=CC=C(C=C2)CCCCCCCCC)S
InChI
InChI=1S/C34H55O4PS2/c1-3-5-7-9-11-13-15-17-31-19-23-33(24-20-31)35-27-29-37-39(40,41)38-30-28-36-34-25-21-32(22-26-34)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-30H2,1-2H3,(H,40,41)
InChIKey
FNNSMTXJNDYVFV-UHFFFAOYSA-N
Compound name
bis[2-(4-nonylphenoxy)ethoxy]-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.32794 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.33522 253.2
[M+Na]+ 645.31716 251.6
[M-H]- 621.32066 254.3
[M+NH4]+ 640.36176 256.0
[M+K]+ 661.29110 243.4
[M+H-H2O]+ 605.32520 239.0
[M+HCOO]- 667.32614 265.6
[M+CH3COO]- 681.34179 263.6
[M+Na-2H]- 643.30261 244.6
[M]+ 622.32739 266.9
[M]- 622.32849 266.9
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.