CID 74385

American cyanamid 38,064

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.02075 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.02803 166.1
[M+Na]+ 348.00997 172.3
[M-H]- 324.01347 167.9
[M+NH4]+ 343.05457 180.6
[M+K]+ 363.98391 169.0
[M+H-H2O]+ 308.01801 156.6
[M+HCOO]- 370.01895 184.5
[M+CH3COO]- 384.03460 204.1
[M+Na-2H]- 345.99542 168.1
[M]+ 325.02020 172.9
[M]- 325.02130 172.9
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.