CID 17906788

P70oul0yif

Structural Information

Molecular Formula
C2H4O5S
SMILES
C(C(=O)O)(O)S(=O)O
InChI
InChI=1S/C2H4O5S/c3-1(4)2(5)8(6)7/h2,5H,(H,3,4)(H,6,7)
InChIKey
HVCNQTCZNBPWBV-UHFFFAOYSA-N
Compound name
2-hydroxy-2-sulfinoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2461
Patents

139.97795 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.985226 122.7
[M+Na]+ 162.967168 129.4
[M-H]- 138.970674 119.3
[M+NH4]+ 158.011773 142.0
[M+K]+ 178.941108 128.7
[M+H-H2O]+ 122.975210 118.5
[M+HCOO]- 184.976151 136.1
[M+CH3COO]- 198.991801 162.4
[M+Na-2H]- 160.952616 123.4
[M]+ 139.97740142 122.7
[M]- 139.97849858 122.7
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