CID 12154462

4-chloro-6-fluoro-2-benzothiazolamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

201.97678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.984056 133.3
[M+Na]+ 224.965998 147.2
[M-H]- 200.969504 136.4
[M+NH4]+ 220.010603 155.9
[M+K]+ 240.939938 141.5
[M+H-H2O]+ 184.974040 128.1
[M+HCOO]- 246.974981 148.9
[M+CH3COO]- 260.990631 148.1
[M+Na-2H]- 222.951446 137.3
[M]+ 201.97623142 136.8
[M]- 201.97732858 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

patents stripe