CID 22062722

Zinc dihexyldithiophosphate

Structural Information

Molecular Formula
C12H27O2PS2
SMILES
CCCCCCOP(=S)(O)SCCCCCC
InChI
InChI=1S/C12H27O2PS2/c1-3-5-7-9-11-14-15(13,16)17-12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,16)
InChIKey
DVQBUCQFLUNZHZ-UHFFFAOYSA-N
Compound name
hexoxy-hexylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

155
Patents

298.11902 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12630 168.6
[M+Na]+ 321.10824 172.4
[M-H]- 297.11174 165.0
[M+NH4]+ 316.15284 184.4
[M+K]+ 337.08218 167.5
[M+H-H2O]+ 281.11628 159.9
[M+HCOO]- 343.11722 182.7
[M+CH3COO]- 357.13287 201.3
[M+Na-2H]- 319.09369 164.2
[M]+ 298.11847 175.4
[M]- 298.11957 175.4
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