CID 12932

Bensulide

Structural Information

Molecular Formula
C14H24NO4PS3
SMILES
CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKey
RRNIZKPFKNDSRS-UHFFFAOYSA-N
Compound name
N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

19
References

19008
Patents

397.06052 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06780 184.6
[M+Na]+ 420.04974 187.1
[M-H]- 396.05324 184.2
[M+NH4]+ 415.09434 195.3
[M+K]+ 436.02368 181.2
[M+H-H2O]+ 380.05778 174.1
[M+HCOO]- 442.05872 193.6
[M+CH3COO]- 456.07437 218.6
[M+Na-2H]- 418.03519 183.3
[M]+ 397.05997 188.5
[M]- 397.06107 188.5
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.