CID 3076412

(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)acetamide

Structural Information

Molecular Formula
C10H8F3N3O2S
SMILES
C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CC(=O)N
InChI
InChI=1S/C10H8F3N3O2S/c11-10(12,13)18-5-1-2-6-7(3-5)19-9(15)16(6)4-8(14)17/h1-3,15H,4H2,(H2,14,17)
InChIKey
XUMKCMLZXFPSMJ-UHFFFAOYSA-N
Compound name
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

291.02893 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03621 157.5
[M+Na]+ 314.01815 164.3
[M+NH4]+ 309.06275 161.8
[M+K]+ 329.99209 160.8
[M-H]- 290.02165 153.9
[M+Na-2H]- 312.00360 159.5
[M]+ 291.02838 157.3
[M]- 291.02948 157.3
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