CID 6444951

M 95

Structural Information

Molecular Formula
C6H12ClO2PS2
SMILES
C/C(=C/CSP(=S)(OC)OC)/Cl
InChI
InChI=1S/C6H12ClO2PS2/c1-6(7)4-5-12-10(11,8-2)9-3/h4H,5H2,1-3H3/b6-4-
InChIKey
UDMIDQWYLBRMJQ-XQRVVYSFSA-N
Compound name
[(Z)-3-chlorobut-2-enyl]sulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.97049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97777 144.4
[M+Na]+ 268.95971 151.8
[M-H]- 244.96321 144.0
[M+NH4]+ 264.00431 163.9
[M+K]+ 284.93365 147.6
[M+H-H2O]+ 228.96775 138.1
[M+HCOO]- 290.96869 156.7
[M+CH3COO]- 304.98434 189.1
[M+Na-2H]- 266.94516 142.1
[M]+ 245.96994 151.2
[M]- 245.97104 151.2
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.