CID 11009494

4-methyl-2-(3-nitrophenyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
CC1=CSC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O2S/c1-7-6-15-10(11-7)8-3-2-4-9(5-8)12(13)14/h2-6H,1H3
InChIKey
HFULOQITZJDLDL-UHFFFAOYSA-N
Compound name
4-methyl-2-(3-nitrophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.037926 144.6
[M+Na]+ 243.019868 153.5
[M-H]- 219.023374 151.2
[M+NH4]+ 238.064473 163.4
[M+K]+ 258.993808 146.1
[M+H-H2O]+ 203.027910 142.3
[M+HCOO]- 265.028851 165.8
[M+CH3COO]- 279.044501 180.1
[M+Na-2H]- 241.005316 149.1
[M]+ 220.03010142 144.9
[M]- 220.03119858 144.9
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.