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

4
Patents

183.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 136.4
[M+Na]+ 206.02462 143.4
[M-H]- 182.02812 137.6
[M+NH4]+ 201.06922 155.1
[M+K]+ 221.99856 139.5
[M+H-H2O]+ 166.03266 130.9
[M+HCOO]- 228.03360 153.4
[M+CH3COO]- 242.04925 176.3
[M+Na-2H]- 204.01007 139.4
[M]+ 183.03485 135.3
[M]- 183.03595 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