CID 131595134

6-(pentafluoro-lambda6-sulfanyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C7H5F5N2S2
SMILES
C1=CC2=C(C=C1S(F)(F)(F)(F)F)SC(=N2)N
InChI
InChI=1S/C7H5F5N2S2/c8-16(9,10,11,12)4-1-2-5-6(3-4)15-7(13)14-5/h1-3H,(H2,13,14)
InChIKey
SXDCLTJAFBTJRV-UHFFFAOYSA-N
Compound name
6-(pentafluoro-lambda6-sulfanyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

275.98145 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.988726 135.2
[M+Na]+ 298.970668 149.1
[M-H]- 274.974174 133.1
[M+NH4]+ 294.015273 154.1
[M+K]+ 314.944608 142.5
[M+H-H2O]+ 258.978710 127.0
[M+HCOO]- 320.979651 144.8
[M+CH3COO]- 334.995301 147.6
[M+Na-2H]- 296.956116 135.8
[M]+ 275.98090142 133.0
[M]- 275.98199858 133.0
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