CID 2771066

2-(4-nitrophenyl)-1,3-thiazolidine

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1CSC(N1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2
InChIKey
FMRGPMCASSSEHQ-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

210.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 142.5
[M+Na]+ 233.03552 148.4
[M-H]- 209.03902 146.6
[M+NH4]+ 228.08012 160.4
[M+K]+ 249.00946 140.8
[M+H-H2O]+ 193.04356 140.4
[M+HCOO]- 255.04450 159.7
[M+CH3COO]- 269.06015 173.9
[M+Na-2H]- 231.02097 146.0
[M]+ 210.04575 137.5
[M]- 210.04685 137.5
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