CID 6479541

5-nitro-2-[(e)-styryl]thiazole

Structural Information

Molecular Formula
C11H8N2O2S
SMILES
C1=CC=C(C=C1)/C=C/C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O2S/c14-13(15)11-8-12-10(16-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKey
KDNFLXWQKIGATO-VOTSOKGWSA-N
Compound name
5-nitro-2-[(E)-2-phenylethenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.03065 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.037926 149.4
[M+Na]+ 255.019868 157.3
[M-H]- 231.023374 155.5
[M+NH4]+ 250.064473 167.3
[M+K]+ 270.993808 149.1
[M+H-H2O]+ 215.027910 146.7
[M+HCOO]- 277.028851 170.4
[M+CH3COO]- 291.044501 180.4
[M+Na-2H]- 253.005316 153.9
[M]+ 232.03010142 148.8
[M]- 232.03119858 148.8
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

No patent data available for this compound.