CID 6474284

4-(2-(1,3-thiazolin-2-yl)vinyl)-1-nitrobenzene

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
C1CSC(=N1)/C=C\C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O2S/c14-13(15)10-4-1-9(2-5-10)3-6-11-12-7-8-16-11/h1-6H,7-8H2/b6-3-
InChIKey
IWXVUNKACYSRET-UTCJRWHESA-N
Compound name
2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 150.7
[M+Na]+ 257.03552 157.6
[M-H]- 233.03902 156.4
[M+NH4]+ 252.08012 168.5
[M+K]+ 273.00946 149.6
[M+H-H2O]+ 217.04356 148.0
[M+HCOO]- 279.04450 170.3
[M+CH3COO]- 293.06015 180.7
[M+Na-2H]- 255.02097 154.3
[M]+ 234.04575 148.8
[M]- 234.04685 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.