CID 3035288

973-28-4

Structural Information

Molecular Formula
C17H20ClO2PS2
SMILES
CCOP(=S)(OCC)SC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H20ClO2PS2/c1-3-19-21(22,20-4-2)23-17(14-8-6-5-7-9-14)15-10-12-16(18)13-11-15/h5-13,17H,3-4H2,1-2H3
InChIKey
IQXFUWXKKYVIGJ-UHFFFAOYSA-N
Compound name
[(4-chlorophenyl)-phenylmethyl]sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

386.03308 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04036 179.8
[M+Na]+ 409.02230 186.3
[M-H]- 385.02580 185.0
[M+NH4]+ 404.06690 193.6
[M+K]+ 424.99624 179.6
[M+H-H2O]+ 369.03034 170.7
[M+HCOO]- 431.03128 192.2
[M+CH3COO]- 445.04693 214.9
[M+Na-2H]- 407.00775 177.4
[M]+ 386.03253 186.9
[M]- 386.03363 186.9
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