CID 3295299

Phenylthioacetohydroximic acid

Structural Information

Molecular Formula
C8H9NOS
SMILES
C1=CC=C(C=C1)CC(=S)NO
InChI
InChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKey
IHTJGIKQNHDTSX-UHFFFAOYSA-N
Compound name
N-hydroxy-2-phenylethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

51
Patents

167.04048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.047756 133.0
[M+Na]+ 190.029698 139.8
[M-H]- 166.033204 135.4
[M+NH4]+ 185.074303 153.0
[M+K]+ 206.003638 136.4
[M+H-H2O]+ 150.037740 127.4
[M+HCOO]- 212.038681 151.4
[M+CH3COO]- 226.054331 175.6
[M+Na-2H]- 188.015146 137.1
[M]+ 167.03993142 132.1
[M]- 167.04102858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe