CID 10633417

4-(trifluoromethoxy)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H5F3N2OS
SMILES
C1=CC(=C2C(=C1)SC(=N2)N)OC(F)(F)F
InChI
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
InChIKey
YSURRMGJTOKALN-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

234.00746 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01474 140.8
[M+Na]+ 256.99668 153.0
[M-H]- 233.00018 141.0
[M+NH4]+ 252.04128 160.9
[M+K]+ 272.97062 148.8
[M+H-H2O]+ 217.00472 132.8
[M+HCOO]- 279.00566 157.3
[M+CH3COO]- 293.02131 188.2
[M+Na-2H]- 254.98213 145.3
[M]+ 234.00691 141.0
[M]- 234.00801 141.0
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