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]+ 235.053576 150.7
[M+Na]+ 257.035518 157.6
[M-H]- 233.039024 156.4
[M+NH4]+ 252.080123 168.5
[M+K]+ 273.009458 149.6
[M+H-H2O]+ 217.043560 148.0
[M+HCOO]- 279.044501 170.3
[M+CH3COO]- 293.060151 180.7
[M+Na-2H]- 255.020966 154.3
[M]+ 234.04575142 148.8
[M]- 234.04684858 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.