CID 67609

Stauffer n-3051

Structural Information

Molecular Formula
C14H23OPS2
SMILES
CCOP(=S)(CC)SC1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C14H23OPS2/c1-6-15-16(17,7-2)18-13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7H2,1-5H3
InChIKey
MRARSQDSGPVQSI-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.0928 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10008 169.5
[M+Na]+ 325.08202 179.5
[M+NH4]+ 320.12662 177.6
[M+K]+ 341.05596 169.8
[M-H]- 301.08552 170.7
[M+Na-2H]- 323.06747 173.5
[M]+ 302.09225 172.4
[M]- 302.09335 172.4
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