CID 76327

O-methyl s-(4-methylphenyl) ethylphosphonodithioate

Structural Information

Molecular Formula
C10H15OPS2
SMILES
CCP(=S)(OC)SC1=CC=C(C=C1)C
InChI
InChI=1S/C10H15OPS2/c1-4-12(13,11-3)14-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3
InChIKey
ZFCPXXRQFQJJAA-UHFFFAOYSA-N
Compound name
ethyl-methoxy-(4-methylphenyl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0302 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03748 148.2
[M+Na]+ 269.01942 156.1
[M-H]- 245.02292 150.7
[M+NH4]+ 264.06402 167.1
[M+K]+ 284.99336 151.7
[M+H-H2O]+ 229.02746 139.8
[M+HCOO]- 291.02840 166.1
[M+CH3COO]- 305.04405 192.5
[M+Na-2H]- 267.00487 146.9
[M]+ 246.02965 152.7
[M]- 246.03075 152.7
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

No patent data available for this compound.