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

37
Patents

178.95563 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.96291 129.3
[M+Na]+ 201.94485 139.0
[M-H]- 177.94835 132.1
[M+NH4]+ 196.98945 149.9
[M+K]+ 217.91879 131.8
[M+H-H2O]+ 161.95289 129.0
[M+HCOO]- 223.95383 146.5
[M+CH3COO]- 237.96948 171.1
[M+Na-2H]- 199.93030 133.7
[M]+ 178.95508 129.2
[M]- 178.95618 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