CID 201190

3383-27-5

Structural Information

Molecular Formula
C12H19ClNO6PS
SMILES
CCN(CC)S(=O)(=O)C1=C(C=C(C=C1)OP(=O)(OC)OC)Cl
InChI
InChI=1S/C12H19ClNO6PS/c1-5-14(6-2)22(16,17)12-8-7-10(9-11(12)13)20-21(15,18-3)19-4/h7-9H,5-6H2,1-4H3
InChIKey
VHLVOVNFLWMVOE-UHFFFAOYSA-N
Compound name
[3-chloro-4-(diethylsulfamoyl)phenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.03592 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04320 174.0
[M+Na]+ 394.02514 181.7
[M-H]- 370.02864 178.7
[M+NH4]+ 389.06974 188.8
[M+K]+ 409.99908 180.2
[M+H-H2O]+ 354.03318 166.0
[M+HCOO]- 416.03412 193.7
[M+CH3COO]- 430.04977 215.9
[M+Na-2H]- 392.01059 176.1
[M]+ 371.03537 186.9
[M]- 371.03647 186.9
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.