CID 17244950

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

Structural Information

Molecular Formula
C7H4ClFN2S
SMILES
C1=C(C=C2C(=C1F)N=C(S2)N)Cl
InChI
InChI=1S/C7H4ClFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKey
AHFUZIIJDNCFRZ-UHFFFAOYSA-N
Compound name
6-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 147.0
[M+NH4]+ 220.01060 143.1
[M+K]+ 240.93994 139.7
[M-H]- 200.96950 135.2
[M+Na-2H]- 222.95145 139.6
[M]+ 201.97623 136.5
[M]- 201.97733 136.5
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.