CID 61075402

1175278-16-6

Structural Information

Molecular Formula
C7H4F2N2S
SMILES
C1=CC2=C(C(=C1F)F)N=C(S2)N
InChI
InChI=1S/C7H4F2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKey
SNFPJGYGBQVSDJ-UHFFFAOYSA-N
Compound name
4,5-difluoro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.00633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.013606 128.4
[M+Na]+ 208.995548 141.8
[M-H]- 184.999054 130.4
[M+NH4]+ 204.040153 150.8
[M+K]+ 224.969488 137.2
[M+H-H2O]+ 169.003590 121.5
[M+HCOO]- 231.004531 147.7
[M+CH3COO]- 245.020181 143.2
[M+Na-2H]- 206.980996 132.5
[M]+ 186.00578142 129.1
[M]- 186.00687858 129.1
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