CID 70021

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

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1C(NCS1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-4,9-10H,5-6H2
InChIKey
BPCHRWRCVLIXJK-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 142.5
[M+Na]+ 233.035518 148.4
[M-H]- 209.039024 146.6
[M+NH4]+ 228.080123 160.4
[M+K]+ 249.009458 140.8
[M+H-H2O]+ 193.043560 140.4
[M+HCOO]- 255.044501 159.7
[M+CH3COO]- 269.060151 173.9
[M+Na-2H]- 231.020966 146.0
[M]+ 210.04575142 137.5
[M]- 210.04684858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.