CID 3076380

2-imino-6-(trifluoromethoxy)-3(2h)-benzothiazoleethanesulfonamide monohydrochloride

Structural Information

Molecular Formula
C10H10F3N3O3S2
SMILES
C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCS(=O)(=O)N
InChI
InChI=1S/C10H10F3N3O3S2/c11-10(12,13)19-6-1-2-7-8(5-6)20-9(14)16(7)3-4-21(15,17)18/h1-2,5,14H,3-4H2,(H2,15,17,18)
InChIKey
RBIOHUQDHQKBQM-UHFFFAOYSA-N
Compound name
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

341.01157 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01885 167.1
[M+Na]+ 364.00079 178.2
[M-H]- 340.00429 166.5
[M+NH4]+ 359.04539 182.2
[M+K]+ 379.97473 171.8
[M+H-H2O]+ 324.00883 159.0
[M+HCOO]- 386.00977 177.3
[M+CH3COO]- 400.02542 207.2
[M+Na-2H]- 361.98624 170.8
[M]+ 341.01102 168.5
[M]- 341.01212 168.5
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