CID 445446

Chembl1794623

Structural Information

Molecular Formula
CH5O3PS
SMILES
C(P(=O)(O)O)S
InChI
InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)
InChIKey
MJZCELCYTRONIX-UHFFFAOYSA-N
Compound name
sulfanylmethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

246
Patents

127.9697 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.97698 121.3
[M+Na]+ 150.95892 129.5
[M-H]- 126.96242 118.5
[M+NH4]+ 146.00352 143.1
[M+K]+ 166.93286 128.5
[M+H-H2O]+ 110.96696 115.4
[M+HCOO]- 172.96790 143.0
[M+CH3COO]- 186.98355 162.9
[M+Na-2H]- 148.94437 123.6
[M]+ 127.96915 123.3
[M]- 127.97025 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe