CID 212485

Bay sra 4259

Structural Information

Molecular Formula
C18H24O6P2S3
SMILES
CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OP(=S)(OC)OC)C)OP(=S)(OC)OC
InChI
InChI=1S/C18H24O6P2S3/c1-13-11-15(7-9-17(13)23-25(27,19-3)20-4)29-16-8-10-18(14(2)12-16)24-26(28,21-5)22-6/h7-12H,1-6H3
InChIKey
HYBSJHXLNIXJPO-UHFFFAOYSA-N
Compound name
[4-(4-dimethoxyphosphinothioyloxy-3-methylphenyl)sulfanyl-2-methylphenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.02103 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.02831 197.0
[M+Na]+ 517.01025 201.6
[M-H]- 493.01375 199.7
[M+NH4]+ 512.05485 205.4
[M+K]+ 532.98419 196.7
[M+H-H2O]+ 477.01829 183.0
[M+HCOO]- 539.01923 214.1
[M+CH3COO]- 553.03488 235.5
[M+Na-2H]- 514.99570 195.0
[M]+ 494.02048 206.1
[M]- 494.02158 206.1
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.