CID 6507095

Phosphoramidic acid, (4-(hydroxymethyl)-1,3-dithiolan-2-ylidene)-, diethyl ester

Structural Information

Molecular Formula
C8H16NO4PS2
SMILES
CCOP(=O)(/N=C\1/SCC(S1)CO)OCC
InChI
InChI=1S/C8H16NO4PS2/c1-3-12-14(11,13-4-2)9-8-15-6-7(5-10)16-8/h7,10H,3-6H2,1-2H3/b9-8-
InChIKey
XXHGHJSFPMHSGF-HJWRWDBZSA-N
Compound name
[(2Z)-2-diethoxyphosphorylimino-1,3-dithiolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.02585 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.033126 157.1
[M+Na]+ 308.015068 162.5
[M-H]- 284.018574 158.7
[M+NH4]+ 303.059673 175.3
[M+K]+ 323.989008 160.2
[M+H-H2O]+ 268.023110 148.9
[M+HCOO]- 330.024051 175.3
[M+CH3COO]- 344.039701 196.6
[M+Na-2H]- 306.000516 155.1
[M]+ 285.02530142 161.7
[M]- 285.02639858 161.7
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

No patent data available for this compound.