CID 15058919

4-chloro-5-nitro-1,3-thiazol-2-ylamine

Structural Information

Molecular Formula
C3H2ClN3O2S
SMILES
C1(=C(SC(=N1)N)[N+](=O)[O-])Cl
InChI
InChI=1S/C3H2ClN3O2S/c4-1-2(7(8)9)10-3(5)6-1/h(H2,5,6)
InChIKey
CQQXMAUNJJIUJE-UHFFFAOYSA-N
Compound name
4-chloro-5-nitro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

178.95563 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.962906 129.3
[M+Na]+ 201.944848 139.0
[M-H]- 177.948354 132.1
[M+NH4]+ 196.989453 149.9
[M+K]+ 217.918788 131.8
[M+H-H2O]+ 161.952890 129.0
[M+HCOO]- 223.953831 146.5
[M+CH3COO]- 237.969481 171.1
[M+Na-2H]- 199.930296 133.7
[M]+ 178.95508142 129.2
[M]- 178.95617858 129.2
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