CID 3068126

82980-43-6

Structural Information

Molecular Formula
C9H13O2PS
SMILES
CC1=CC(=CC=C1)OP(=S)(C)OC
InChI
InChI=1S/C9H13O2PS/c1-8-5-4-6-9(7-8)11-12(3,13)10-2/h4-7H,1-3H3
InChIKey
SCRLUHFUULUMDB-UHFFFAOYSA-N
Compound name
methoxy-methyl-(3-methylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03738 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04466 144.2
[M+Na]+ 239.02660 152.6
[M-H]- 215.03010 147.3
[M+NH4]+ 234.07120 164.3
[M+K]+ 255.00054 150.5
[M+H-H2O]+ 199.03464 136.3
[M+HCOO]- 261.03558 168.1
[M+CH3COO]- 275.05123 186.8
[M+Na-2H]- 237.01205 145.5
[M]+ 216.03683 149.5
[M]- 216.03793 149.5
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.