CID 197872

Brn 2290422

Structural Information

Molecular Formula
C15H17O2PS2
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)SC
InChI
InChI=1S/C15H17O2PS2/c1-3-16-18(19,14-7-5-4-6-8-14)17-13-9-11-15(20-2)12-10-13/h4-12H,3H2,1-2H3
InChIKey
MGGSBJJMHABXAD-UHFFFAOYSA-N
Compound name
ethoxy-(4-methylsulfanylphenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.04077 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04805 168.0
[M+Na]+ 347.02999 175.1
[M-H]- 323.03349 173.2
[M+NH4]+ 342.07459 183.3
[M+K]+ 363.00393 169.7
[M+H-H2O]+ 307.03803 158.0
[M+HCOO]- 369.03897 186.4
[M+CH3COO]- 383.05462 204.8
[M+Na-2H]- 345.01544 167.3
[M]+ 324.04022 172.8
[M]- 324.04132 172.8
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.