CID 57786

100333-44-6

Structural Information

Molecular Formula
C11H5F6NS
SMILES
C1=CC=C2C(=C1)N=C(S2)C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H5F6NS/c12-10(13,14)8(11(15,16)17)5-9-18-6-3-1-2-4-7(6)19-9/h1-5H
InChIKey
PDKKHDDGXFZCFZ-UHFFFAOYSA-N
Compound name
2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.0047 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.01198 168.9
[M+Na]+ 319.99392 173.8
[M+NH4]+ 315.03852 171.6
[M+K]+ 335.96786 169.4
[M-H]- 295.99742 162.3
[M+Na-2H]- 317.97937 169.4
[M]+ 297.00415 167.7
[M]- 297.00525 167.7
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

No patent data available for this compound.