CID 13509557

(2-mercaptoethyl)phosphonic acid

Structural Information

Molecular Formula
C2H7O3PS
SMILES
C(CS)P(=O)(O)O
InChI
InChI=1S/C2H7O3PS/c3-6(4,5)1-2-7/h7H,1-2H2,(H2,3,4,5)
InChIKey
TXCBWQYWCDOLHF-UHFFFAOYSA-N
Compound name
2-sulfanylethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

170
Patents

141.98535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.99263 125.9
[M+Na]+ 164.97457 133.7
[M-H]- 140.97807 122.9
[M+NH4]+ 160.01917 147.1
[M+K]+ 180.94851 132.4
[M+H-H2O]+ 124.98261 119.8
[M+HCOO]- 186.98355 147.3
[M+CH3COO]- 200.99920 166.0
[M+Na-2H]- 162.96002 127.7
[M]+ 141.98480 128.3
[M]- 141.98590 128.3
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