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

17422
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

literature stripe

Patent stripe

patents stripe