CID 120174

American cyanamid cl-38106

Structural Information

Molecular Formula
C9H14NO5PS2
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C9H14NO5PS2/c1-10-18(11,12)9-6-4-8(5-7-9)15-16(17,13-2)14-3/h4-7,10H,1-3H3
InChIKey
ZHLQCGBEZFGTSL-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.0051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01238 161.7
[M+Na]+ 333.99432 168.4
[M-H]- 309.99782 163.8
[M+NH4]+ 329.03892 176.8
[M+K]+ 349.96826 165.3
[M+H-H2O]+ 294.00236 152.5
[M+HCOO]- 356.00330 180.4
[M+CH3COO]- 370.01895 201.2
[M+Na-2H]- 331.97977 164.2
[M]+ 311.00455 168.2
[M]- 311.00565 168.2
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