CID 82069

7595-89-3

Structural Information

Molecular Formula
C14H15O2PS2
SMILES
CC1=CC(=CC=C1)OP(=S)(OC2=CC=CC(=C2)C)S
InChI
InChI=1S/C14H15O2PS2/c1-11-5-3-7-13(9-11)15-17(18,19)16-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,18,19)
InChIKey
GKNITEVWPONLFV-UHFFFAOYSA-N
Compound name
bis(3-methylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.02512 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03240 163.0
[M+Na]+ 333.01434 171.3
[M-H]- 309.01784 168.7
[M+NH4]+ 328.05894 179.1
[M+K]+ 348.98828 166.1
[M+H-H2O]+ 293.02238 153.4
[M+HCOO]- 355.02332 181.6
[M+CH3COO]- 369.03897 203.0
[M+Na-2H]- 330.99979 162.1
[M]+ 310.02457 167.9
[M]- 310.02567 167.9
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

patents stripe