CID 112228

Tetrahydro-n,n-bis(phosphonomethyl)-3-thiophenamine 1,1-dioxide

Structural Information

Molecular Formula
C6H15NO8P2S
SMILES
C1CS(=O)(=O)CC1N(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C6H15NO8P2S/c8-16(9,10)4-7(5-17(11,12)13)6-1-2-18(14,15)3-6/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
BQIVITALMXDPBY-UHFFFAOYSA-N
Compound name
[(1,1-dioxothiolan-3-yl)-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

322.99936 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.006636 156.7
[M+Na]+ 345.988578 160.6
[M-H]- 321.992084 153.4
[M+NH4]+ 341.033183 172.6
[M+K]+ 361.962518 160.7
[M+H-H2O]+ 305.996620 148.8
[M+HCOO]- 367.997561 180.0
[M+CH3COO]- 382.013211 195.0
[M+Na-2H]- 343.974026 158.8
[M]+ 322.99881142 158.7
[M]- 322.99990858 158.7
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