CID 22080

Holcomb compound 326

Structural Information

Molecular Formula
C11H24NO2PS3
SMILES
CCN(CC)C(=S)SP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C11H24NO2PS3/c1-7-12(8-2)11(16)18-15(17,13-9(3)4)14-10(5)6/h9-10H,7-8H2,1-6H3
InChIKey
BAFCBDVCYCRYPM-UHFFFAOYSA-N
Compound name
di(propan-2-yloxy)phosphinothioyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

329.07068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07796 168.7
[M+Na]+ 352.05990 171.1
[M-H]- 328.06340 167.1
[M+NH4]+ 347.10450 183.3
[M+K]+ 368.03384 167.3
[M+H-H2O]+ 312.06794 158.9
[M+HCOO]- 374.06888 176.6
[M+CH3COO]- 388.08453 213.8
[M+Na-2H]- 350.04535 162.4
[M]+ 329.07013 173.4
[M]- 329.07123 173.4
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