CID 129320286

(z)-n-hydroxy-2-(4-hydroxyphenyl)acetimidothioate

Structural Information

Molecular Formula
C8H8NO2S
SMILES
C1=CC(=CC=C1CC(=S)N[O-])O
InChI
InChI=1S/C8H8NO2S/c10-7-3-1-6(2-4-7)5-8(12)9-11/h1-4H,5H2,(H2-,9,10,11,12)/q-1
InChIKey
AZKWQAUWSDUYSH-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-N-oxidoethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.02757 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03485 134.3
[M+Na]+ 205.01679 141.1
[M-H]- 181.02029 135.2
[M+NH4]+ 200.06139 153.0
[M+K]+ 220.99073 138.2
[M+H-H2O]+ 165.02483 130.8
[M+HCOO]- 227.02577 152.3
[M+CH3COO]- 241.04142 175.4
[M+Na-2H]- 203.00224 136.8
[M]+ 182.02702 132.5
[M]- 182.02812 132.5
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.