CID 50986226

Phenyl-n-(sulfonatooxy)methanimidothioate

Structural Information

Molecular Formula
C8H9NO4S2
SMILES
C1=CC=C(C=C1)CC(=S)NOS(=O)(=O)O
InChI
InChI=1S/C8H9NO4S2/c10-15(11,12)13-9-8(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,14)(H,10,11,12)
InChIKey
HDEIGSIJUBUHSO-UHFFFAOYSA-N
Compound name
[(2-phenylethanethioyl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.9973 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00458 150.6
[M+Na]+ 269.98652 158.8
[M+NH4]+ 265.03112 157.0
[M+K]+ 285.96046 151.7
[M-H]- 245.99002 150.3
[M+Na-2H]- 267.97197 154.2
[M]+ 246.99675 152.3
[M]- 246.99785 152.3
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.