CID 86136

Unii-wi1wpa600g

Structural Information

Molecular Formula
C12H27O2PS2
SMILES
CCC(C)OP(=S)(OCCCCCC(C)C)S
InChI
InChI=1S/C12H27O2PS2/c1-5-12(4)14-15(16,17)13-10-8-6-7-9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKey
LPEQNMKNSKSCGZ-UHFFFAOYSA-N
Compound name
butan-2-yloxy-(6-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

298.11902 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12630 168.3
[M+Na]+ 321.10824 172.0
[M-H]- 297.11174 166.3
[M+NH4]+ 316.15284 184.8
[M+K]+ 337.08218 169.0
[M+H-H2O]+ 281.11628 159.6
[M+HCOO]- 343.11722 181.8
[M+CH3COO]- 357.13287 205.4
[M+Na-2H]- 319.09369 162.5
[M]+ 298.11847 175.9
[M]- 298.11957 175.9
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.