CID 18680

O,o-dihexyl hydrogen dithiophosphate

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

943
Patents

298.11902 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12630 168.3
[M+Na]+ 321.10824 172.6
[M-H]- 297.11174 166.2
[M+NH4]+ 316.15284 184.9
[M+K]+ 337.08218 168.7
[M+H-H2O]+ 281.11628 159.3
[M+HCOO]- 343.11722 183.9
[M+CH3COO]- 357.13287 204.0
[M+Na-2H]- 319.09369 164.3
[M]+ 298.11847 177.0
[M]- 298.11957 177.0
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.