CID 6444953

Brn 1819136

Structural Information

Molecular Formula
C10H20ClO2PS2
SMILES
CC(C)OP(=S)(OC(C)C)SC/C=C(/C)\Cl
InChI
InChI=1S/C10H20ClO2PS2/c1-8(2)12-14(15,13-9(3)4)16-7-6-10(5)11/h6,8-9H,7H2,1-5H3/b10-6-
InChIKey
XTFNCMLKONUQSV-POHAHGRESA-N
Compound name
[(Z)-3-chlorobut-2-enyl]sulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.03308 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04036 160.5
[M+Na]+ 325.02230 165.7
[M-H]- 301.02580 159.6
[M+NH4]+ 320.06690 177.7
[M+K]+ 340.99624 161.4
[M+H-H2O]+ 285.03034 153.8
[M+HCOO]- 347.03128 169.6
[M+CH3COO]- 361.04693 202.3
[M+Na-2H]- 323.00775 154.9
[M]+ 302.03253 167.8
[M]- 302.03363 167.8
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.