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 167.4
[M+Na]+ 325.08202 173.9
[M-H]- 301.08552 169.4
[M+NH4]+ 320.12662 184.2
[M+K]+ 341.05596 169.1
[M+H-H2O]+ 285.09006 158.6
[M+HCOO]- 347.09100 182.6
[M+CH3COO]- 361.10665 204.1
[M+Na-2H]- 323.06747 165.4
[M]+ 302.09225 172.7
[M]- 302.09335 172.7
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