CID 216961

37934-13-7

Structural Information

Molecular Formula
C7H13N2O3PS2
SMILES
CCC1=NN=C(O1)CSP(=S)(OC)OC
InChI
InChI=1S/C7H13N2O3PS2/c1-4-6-8-9-7(12-6)5-15-13(14,10-2)11-3/h4-5H2,1-3H3
InChIKey
FCIXODGHTGXJGK-UHFFFAOYSA-N
Compound name
(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.01053 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01781 152.2
[M+Na]+ 290.99975 161.2
[M-H]- 267.00325 153.1
[M+NH4]+ 286.04435 168.2
[M+K]+ 306.97369 160.0
[M+H-H2O]+ 251.00779 143.5
[M+HCOO]- 313.00873 169.4
[M+CH3COO]- 327.02438 192.8
[M+Na-2H]- 288.98520 150.9
[M]+ 268.00998 160.2
[M]- 268.01108 160.2
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.