CID 129699942

Chebi:183084

Structural Information

Molecular Formula
CH3NO4S2
SMILES
C(=S)NOS(=O)(=O)O
InChI
InChI=1S/CH3NO4S2/c3-8(4,5)6-2-1-7/h1H,(H,2,7)(H,3,4,5)
InChIKey
PFGKRYFMWGEVKG-UHFFFAOYSA-N
Compound name
(methanethioylamino) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.95035 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.95763 125.9
[M+Na]+ 179.93957 133.9
[M-H]- 155.94307 124.8
[M+NH4]+ 174.98417 145.6
[M+K]+ 195.91351 130.8
[M+H-H2O]+ 139.94761 120.9
[M+HCOO]- 201.94855 138.9
[M+CH3COO]- 215.96420 169.0
[M+Na-2H]- 177.92502 130.0
[M]+ 156.94980 127.9
[M]- 156.95090 127.9
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.