CID 62942535

2-chloro-4-(3-nitrophenyl)thiazole

Structural Information

Molecular Formula
C9H5ClN2O2S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)Cl
InChI
InChI=1S/C9H5ClN2O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H
InChIKey
YKJLHPOQANIGHK-UHFFFAOYSA-N
Compound name
2-chloro-4-(3-nitrophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97603 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.983306 147.7
[M+Na]+ 262.965248 157.2
[M-H]- 238.968754 154.0
[M+NH4]+ 258.009853 166.3
[M+K]+ 278.939188 148.6
[M+H-H2O]+ 222.973290 146.3
[M+HCOO]- 284.974231 164.4
[M+CH3COO]- 298.989881 180.9
[M+Na-2H]- 260.950696 152.0
[M]+ 239.97548142 149.5
[M]- 239.97657858 149.5
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.