CID 26597110

5-chloro-4-fluoro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C7H4ClFN2S
SMILES
C1=CC(=C(C2=C1SC(=N2)N)F)Cl
InChI
InChI=1S/C7H4ClFN2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKey
RWUOSOHBOYWICN-UHFFFAOYSA-N
Compound name
5-chloro-4-fluoro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98406 133.3
[M+Na]+ 224.96600 147.2
[M-H]- 200.96950 136.4
[M+NH4]+ 220.01060 155.9
[M+K]+ 240.93994 141.5
[M+H-H2O]+ 184.97404 128.1
[M+HCOO]- 246.97498 148.9
[M+CH3COO]- 260.99063 148.1
[M+Na-2H]- 222.95145 137.3
[M]+ 201.97623 136.8
[M]- 201.97733 136.8
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.