CID 201189

3383-22-0

Structural Information

Molecular Formula
C10H15ClNO6PS
SMILES
CN(C)S(=O)(=O)C1=C(C=C(C=C1)OP(=O)(OC)OC)Cl
InChI
InChI=1S/C10H15ClNO6PS/c1-12(2)20(14,15)10-6-5-8(7-9(10)11)18-19(13,16-3)17-4/h5-7H,1-4H3
InChIKey
QYGWXBPHMSLLHC-UHFFFAOYSA-N
Compound name
[3-chloro-4-(dimethylsulfamoyl)phenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0046 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01188 164.7
[M+Na]+ 365.99382 173.2
[M-H]- 341.99732 169.7
[M+NH4]+ 361.03842 180.6
[M+K]+ 381.96776 172.2
[M+H-H2O]+ 326.00186 157.1
[M+HCOO]- 388.00280 185.0
[M+CH3COO]- 402.01845 210.0
[M+Na-2H]- 363.97927 167.6
[M]+ 343.00405 176.8
[M]- 343.00515 176.8
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.