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]+ 233.03793 149.4
[M+Na]+ 255.01987 157.3
[M-H]- 231.02337 155.5
[M+NH4]+ 250.06447 167.3
[M+K]+ 270.99381 149.1
[M+H-H2O]+ 215.02791 146.7
[M+HCOO]- 277.02885 170.4
[M+CH3COO]- 291.04450 180.4
[M+Na-2H]- 253.00532 153.9
[M]+ 232.03010 148.8
[M]- 232.03120 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.