CID 3033561

Dithio-p-nitrocarbanilic acid glycolate

Structural Information

Molecular Formula
C9H8N2O4S2
SMILES
C1=CC(=CC=C1NC(=S)SCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O4S2/c12-8(13)5-17-9(16)10-6-1-3-7(4-2-6)11(14)15/h1-4H,5H2,(H,10,16)(H,12,13)
InChIKey
HGQGGHVXXAVHSO-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)carbamothioylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.99255 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99983 150.5
[M+Na]+ 294.98177 159.2
[M+NH4]+ 290.02637 157.0
[M+K]+ 310.95571 154.6
[M-H]- 270.98527 152.1
[M+Na-2H]- 292.96722 153.9
[M]+ 271.99200 152.6
[M]- 271.99310 152.6
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.