CID 135648178

5-benzylidenerhodanine-2-oxime

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N/C(=N\O)/S2
InChI
InChI=1S/C10H8N2O2S/c13-9-8(15-10(11-9)12-14)6-7-4-2-1-3-5-7/h1-6,14H,(H,11,12,13)/b8-6+
InChIKey
GHWZNRLETUSFRV-SOFGYWHQSA-N
Compound name
(2E,5E)-5-benzylidene-2-hydroxyimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 146.4
[M+Na]+ 243.01987 154.6
[M-H]- 219.02337 150.9
[M+NH4]+ 238.06447 164.9
[M+K]+ 258.99381 149.5
[M+H-H2O]+ 203.02791 140.0
[M+HCOO]- 265.02885 164.3
[M+CH3COO]- 279.04450 181.9
[M+Na-2H]- 241.00532 147.7
[M]+ 220.03010 143.8
[M]- 220.03120 143.8
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.