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]+ 221.03793 142.8
[M+Na]+ 243.01987 156.8
[M+NH4]+ 238.06447 152.0
[M+K]+ 258.99381 152.5
[M-H]- 219.02337 147.9
[M+Na-2H]- 241.00532 150.7
[M]+ 220.03010 146.6
[M]- 220.03120 146.6
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.