CID 88305370

Zinc dioleyl dithiophosphate

Structural Information

Molecular Formula
C36H71O2PS2
SMILES
CCCCCCCC/C=C\CCCCCCCCOP(=S)(S)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H71O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(40,41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,40,41)/b19-17-,20-18-
InChIKey
DLJSTKJMIUOFPC-CLFAGFIQSA-N
Compound name
bis[(Z)-octadec-9-enoxy]-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

630.4633 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.47058 274.1
[M+Na]+ 653.45252 274.1
[M-H]- 629.45602 248.8
[M+NH4]+ 648.49712 270.9
[M+K]+ 669.42646 277.4
[M+H-H2O]+ 613.46056 263.4
[M+HCOO]- 675.46150 282.8
[M+CH3COO]- 689.47715 269.1
[M+Na-2H]- 651.43797 252.1
[M]+ 630.46275 274.7
[M]- 630.46385 274.7
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

patents stripe