CID 74698

1902-25-6

Structural Information

Molecular Formula
C10H16NO5PS2
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H16NO5PS2/c1-3-14-17(18,15-4-2)16-9-5-7-10(8-6-9)19(11,12)13/h5-8H,3-4H2,1-2H3,(H2,11,12,13)
InChIKey
AREISRHESIVGTH-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.02075 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.02803 166.4
[M+Na]+ 348.00997 172.6
[M-H]- 324.01347 167.7
[M+NH4]+ 343.05457 180.6
[M+K]+ 363.98391 168.9
[M+H-H2O]+ 308.01801 157.0
[M+HCOO]- 370.01895 184.2
[M+CH3COO]- 384.03460 203.5
[M+Na-2H]- 345.99542 167.5
[M]+ 325.02020 172.3
[M]- 325.02130 172.3
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