CID 2386069

6125-33-3

Structural Information

Molecular Formula
C11H8ClN3O3S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C11H8ClN3O3S/c12-5-10(16)14-11-13-9(6-19-11)7-2-1-3-8(4-7)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKey
VSELMKHRULYGHW-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

296.9975 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00478 162.4
[M+Na]+ 319.98672 169.6
[M-H]- 295.99022 168.3
[M+NH4]+ 315.03132 177.9
[M+K]+ 335.96066 160.8
[M+H-H2O]+ 279.99476 160.1
[M+HCOO]- 341.99570 178.7
[M+CH3COO]- 356.01135 192.6
[M+Na-2H]- 317.97217 165.7
[M]+ 296.99695 164.1
[M]- 296.99805 164.1
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

patents stripe