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

14
Patents

275.98145 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98873 135.2
[M+Na]+ 298.97067 149.1
[M-H]- 274.97417 133.1
[M+NH4]+ 294.01527 154.1
[M+K]+ 314.94461 142.5
[M+H-H2O]+ 258.97871 127.0
[M+HCOO]- 320.97965 144.8
[M+CH3COO]- 334.99530 147.6
[M+Na-2H]- 296.95612 135.8
[M]+ 275.98090 133.0
[M]- 275.98200 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