CID 87764

Mobil mc-327

Structural Information

Molecular Formula
C12H15OPS3
SMILES
CCCSP(=S)(C)OC1=CSC2=CC=CC=C21
InChI
InChI=1S/C12H15OPS3/c1-3-8-17-14(2,15)13-11-9-16-12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3
InChIKey
HVSSNEBKWQZFEX-UHFFFAOYSA-N
Compound name
1-benzothiophen-3-yloxy-methyl-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.00226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00954 159.4
[M+Na]+ 324.99148 169.3
[M-H]- 300.99498 162.5
[M+NH4]+ 320.03608 178.9
[M+K]+ 340.96542 163.0
[M+H-H2O]+ 284.99952 151.9
[M+HCOO]- 347.00046 173.5
[M+CH3COO]- 361.01611 200.8
[M+Na-2H]- 322.97693 158.5
[M]+ 302.00171 165.1
[M]- 302.00281 165.1
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.