CID 2307352

6-[(difluoromethyl)sulfanyl]-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H6F2N2S2
SMILES
C1=CC2=C(C=C1SC(F)F)SC(=N2)N
InChI
InChI=1S/C8H6F2N2S2/c9-7(10)13-4-1-2-5-6(3-4)14-8(11)12-5/h1-3,7H,(H2,11,12)
InChIKey
ISUPFQHWEVPYBU-UHFFFAOYSA-N
Compound name
6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

231.99405 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00133 137.8
[M+Na]+ 254.98327 149.7
[M-H]- 230.98677 138.9
[M+NH4]+ 250.02787 158.2
[M+K]+ 270.95721 144.1
[M+H-H2O]+ 214.99131 130.9
[M+HCOO]- 276.99225 150.0
[M+CH3COO]- 291.00790 150.8
[M+Na-2H]- 252.96872 139.2
[M]+ 231.99350 139.0
[M]- 231.99460 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe