CID 46173870

P-hydroxyphenylacetothiohydroximate

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1=CC(=CC=C1CC(=S)NO)O
InChI
InChI=1S/C8H9NO2S/c10-7-3-1-6(2-4-7)5-8(12)9-11/h1-4,10-11H,5H2,(H,9,12)
InChIKey
LPISVKQODWVLPO-UHFFFAOYSA-N
Compound name
N-hydroxy-2-(4-hydroxyphenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

183.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 136.4
[M+Na]+ 206.024618 143.4
[M-H]- 182.028124 137.6
[M+NH4]+ 201.069223 155.1
[M+K]+ 221.998558 139.5
[M+H-H2O]+ 166.032660 130.9
[M+HCOO]- 228.033601 153.4
[M+CH3COO]- 242.049251 176.3
[M+Na-2H]- 204.010066 139.4
[M]+ 183.03485142 135.3
[M]- 183.03594858 135.3
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

patents stripe