CID 9578087

Benzeneethanimidothioicacid, n-hydroxy-a-oxo-, phenyl ester, (z)-

Structural Information

Molecular Formula
C14H11NO2S
SMILES
C1=CC=C(C=C1)C(=O)/C(=N/O)/SC2=CC=CC=C2
InChI
InChI=1S/C14H11NO2S/c16-13(11-7-3-1-4-8-11)14(15-17)18-12-9-5-2-6-10-12/h1-10,17H/b15-14-
InChIKey
SUHJSRFHPOOMDG-PFONDFGASA-N
Compound name
phenyl (1Z)-N-hydroxy-2-oxo-2-phenylethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.05106 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 156.6
[M+Na]+ 280.04028 162.7
[M-H]- 256.04378 163.2
[M+NH4]+ 275.08488 173.1
[M+K]+ 296.01422 158.5
[M+H-H2O]+ 240.04832 149.1
[M+HCOO]- 302.04926 175.7
[M+CH3COO]- 316.06491 193.4
[M+Na-2H]- 278.02573 160.0
[M]+ 257.05051 157.2
[M]- 257.05161 157.2
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.