CID 10378404

698387-81-4

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
C1=CC(=CC=C1SC/C=C/C=C/C(=O)NO)Cl
InChI
InChI=1S/C12H12ClNO2S/c13-10-5-7-11(8-6-10)17-9-3-1-2-4-12(15)14-16/h1-8,16H,9H2,(H,14,15)/b3-1+,4-2+
InChIKey
PERSSGOZVHZNBC-ZPUQHVIOSA-N
Compound name
(2E,4E)-6-(4-chlorophenyl)sulfanyl-N-hydroxyhexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

269.02774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 158.0
[M+Na]+ 292.01696 165.2
[M-H]- 268.02046 160.1
[M+NH4]+ 287.06156 174.9
[M+K]+ 307.99090 158.2
[M+H-H2O]+ 252.02500 152.8
[M+HCOO]- 314.02594 171.3
[M+CH3COO]- 328.04159 191.6
[M+Na-2H]- 290.00241 159.2
[M]+ 269.02719 160.7
[M]- 269.02829 160.7
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.