CID 3080913

Monothiopyrophosphoric acid

Structural Information

Molecular Formula
H4O6P2S
SMILES
OP(=O)(O)OP(=S)(O)O
InChI
InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)
InChIKey
HWTUHTNZLQJJEV-UHFFFAOYSA-N
Compound name
dihydroxyphosphinothioyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1374
Patents

193.92038 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.92766 134.7
[M+Na]+ 216.90960 141.6
[M-H]- 192.91310 127.8
[M+NH4]+ 211.95420 152.3
[M+K]+ 232.88354 140.2
[M+H-H2O]+ 176.91764 126.4
[M+HCOO]- 238.91858 158.3
[M+CH3COO]- 252.93423 168.5
[M+Na-2H]- 214.89505 136.2
[M]+ 193.91983 136.4
[M]- 193.92093 136.4
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