CID 86081916

869896-76-4

Structural Information

Molecular Formula
C20H10F6N2S2
SMILES
C1=CC(=CC=C1C2=NC=C(S2)C3=CN=C(S3)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H10F6N2S2/c21-19(22,23)13-5-1-11(2-6-13)17-27-9-15(29-17)16-10-28-18(30-16)12-3-7-14(8-4-12)20(24,25)26/h1-10H
InChIKey
YPPDUFZJMJWOLJ-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

456.01895 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02623 196.5
[M+Na]+ 479.00817 203.4
[M+NH4]+ 474.05277 199.3
[M+K]+ 494.98211 197.7
[M-H]- 455.01167 194.1
[M+Na-2H]- 476.99362 200.1
[M]+ 456.01840 197.3
[M]- 456.01950 197.3
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