CID 4373502

2-hydrazino-4-(4-nitrophenyl)thiazole

Structural Information

Molecular Formula
C9H8N4O2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O2S/c10-12-9-11-8(5-16-9)6-1-3-7(4-2-6)13(14)15/h1-5H,10H2,(H,11,12)
InChIKey
ZOJPXCPZDSRIKP-UHFFFAOYSA-N
Compound name
[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

236.0368 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.044076 143.9
[M+Na]+ 259.026018 151.1
[M-H]- 235.029524 149.7
[M+NH4]+ 254.070623 160.7
[M+K]+ 274.999958 143.0
[M+H-H2O]+ 219.034060 140.7
[M+HCOO]- 281.035001 166.6
[M+CH3COO]- 295.050651 185.8
[M+Na-2H]- 257.011466 149.8
[M]+ 236.03625142 141.3
[M]- 236.03734858 141.3
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

patents stripe